SCHEMBL384064

SCHEMBL384064

CN(C)Cc1ccc2c(c1)CNC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TAAR1 Q96RJ0 2/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
HTR6 P50406 1/20 0.37
HTR7 P34969 1/20 0.37
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31062682 1.00 HRH3 (0.43) HRH3PARP1ALDH1A1TSHRATM
Hydrochloric Acid SCHEMBL30301724 0.98 HRH3 (0.42) HRH3PARP1ALDH1A1TSHRATM
SCHEMBL25219949 0.86 ASIC3 (0.50) HRH3DRD2DRD3
SCHEMBL13213332 0.86 PNMT (0.50) DRD2DRD3
SCHEMBL3703199 0.81 HRH3 (0.47) HRH3PARP1DRD2DRD3HTR6
SCHEMBL3282829 0.78 HRH3 (0.51) HRH3PARP1
SCHEMBL8179926 0.78 DRD2 (0.42) PARP1DRD2DRD3HTR6
SCHEMBL15625912 0.76 TSHR (0.63) HRH3PARP1ALDH1A1TSHRATM
SCHEMBL21335649 0.74 DRD2 (0.47) DRD2DRD3HTR6
SCHEMBL1206291 0.74 HTR2A (0.40) DRD2DRD3HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-01-02 US disclosed
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2021-09-09 US disclosed
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase ALKERMES, INC. (US) 2021-02-16 US disclosed
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2020-08-06 US disclosed
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 US disclosed
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-07-12 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-06-17 US disclosed
US-7700625-B2 Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 ASTEX THERAPEUTICS LTD. (GB) 2010-04-20 US disclosed
US-20100092474-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2010-04-15 US disclosed
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-12-03 US disclosed
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LIMITED (UK) 2009-08-27 US disclosed
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LIMITED (UK) 2009-08-27 US disclosed
WO-2009013299-A2 NOVEL BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-29 WO disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HRH3 97/4885PARP1 4285/4885ALDH1A1 1756/4885
US-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK HRH3 1553/4885PARP1 737/4885ALDH1A1 2558/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 HRH3 2921/4885PARP1 3946/4885ALDH1A1 377/4885
US-20100092474-A1 PHARMACEUTICAL COMBINATIONS HSP90AB1, HEATR6, HEATR1 HRH3 164/4885PARP1 4395/4885ALDH1A1 2281/4885
US-11858939-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 HRH3 101/4885PARP1 739/4885ALDH1A1 2566/4885
US-20100152184-A1 PHARMACEUTICAL COMPOUNDS RPP30, RPLP1, NR5A1 HRH3 630/4885PARP1 3478/4885ALDH1A1 1780/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HRH3 95/4885PARP1 4298/4885ALDH1A1 1740/4885
US-20180194769-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 HRH3 101/4885PARP1 739/4885ALDH1A1 2566/4885
US-20200247814-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 HRH3 101/4885PARP1 739/4885ALDH1A1 2566/4885
US-10919902-B2 Hetero-halo inhibitors of histone deacetylase HDAC2, HDAC1, HDAC6 HRH3 101/4885PARP1 739/4885ALDH1A1 2566/4885
US-20090215772-A1 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 HRH3 121/4885PARP1 4294/4885ALDH1A1 1714/4885
US-20210277007-A1 HETERO-HALO INHIBITORS OF HISTONE DEACETYLASE HDAC2, HDAC1, HDAC6 HRH3 101/4885PARP1 739/4885ALDH1A1 2566/4885
US-20090298818-A1 PHARMACEUTICAL COMPOUNDS H1-10, C1R, C1S HRH3 589/4885PARP1 1446/4885ALDH1A1 3595/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.