SCHEMBL2912150

SCHEMBL2912150

NC(=O)c1ccc(CN2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.64
HDAC1 Q13547 1/20 0.63
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
ALDH1A1 P00352 4/20 0.59
GAA P10253 1/20 0.58
HRH4 Q9H3N8 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
KDM4E B2RXH2 2/20 0.56
HPGD P15428 1/20 0.55
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
Hydrochloric Acid SCHEMBL27587927 0.98 HRH3 (0.62) HRH3HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL2907506 0.98 HDAC1 (0.65) HRH3HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL13773050 0.89 PARP10 (0.58) HRH3HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL28784579 0.85 HRH3 (0.69) HRH3HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL3275253 0.85 HRH3 (0.69) HRH3HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL2986364 0.84 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6ALDH1A1
Hydrochloric Acid SCHEMBL27789104 0.84 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL27854081 0.84 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL2772979 0.84 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL2741682 0.84 HRH3 (0.67) HRH3HDAC1HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US claimed
US-7427625-B2 Substituted thiatriazaacenaphthylene-6-carbonitrile kinase inhibitors JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-23 US claimed
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-05-08 US claimed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US claimed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US claimed
WO-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 WO claimed
WO-2007084815-A2 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-26 WO claimed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 WO claimed
US-11203582-B2 Benzamide derivatives for inhibiting endoplasmic reticulum (ER) stress THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2021-12-21 US disclosed
US-20200199094-A1 BENZAMIDE DERIVATIVES FOR INHIBITING ENDOPLASMIC RETICULUM (ER) STRESS THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA 2020-06-25 US disclosed
WO-2018232264-A1 BENZAMIDE DERIVATIVES FOR INHIBITING ENDOPLASMIC RETICULUM (ER) STRESS THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2018-12-20 WO disclosed
CN-101654416-B N-[3-nitro-4-methyl-phenyl]-4-aldehyde group-benzamide and preparation method thereof as well as preparation method of derivatives thereof CHENGDU SHENHUANG MEDICINE TECHNOLOGY CO LTD 2013-06-05 CN disclosed
CN-101878212-A Triazolopyridine compounds and their use as ask inhibitors SERONO LAB 2010-11-03 CN disclosed
EP-1940786-B1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LTD (GB) 2010-08-18 EP disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US disclosed
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007092879-A2 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-16 WO disclosed
WO-2007084815-A2 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-07-26 WO disclosed
WO-2007031791-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-03-22 WO disclosed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 WO 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 (5 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-20200199094-A1 BENZAMIDE DERIVATIVES FOR INHIBITING ENDOPLASMIC RETICULUM (ER) STRESS HSPA5, TMBIM6, BAD HRH3 2363/4885HDAC1 568/4885HDAC8 393/4885
US-20070225309-A1 SUBSTITUTED THIATRIAZAACENAPHTHYLENE-6-CARBONITRILE KINASE INHIBITORS MAP3K11, MAP3K6, MAP4K2 HRH3 2500/4885HDAC1 2326/4885HDAC8 3565/4885
US-11203582-B2 Benzamide derivatives for inhibiting endoplasmic reticulum (ER) stress HSPA5, TMBIM6, BAD HRH3 2363/4885HDAC1 568/4885HDAC8 393/4885
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 HRH3 1681/4885HDAC1 2872/4885HDAC8 2541/4885
US-20080108611-A1 SUBSTITUTED THIENOPYRIMIDINE KINASE INHIBITORS MAP4K2, MAP3K6, MAP3K2 HRH3 1921/4885HDAC1 2221/4885HDAC8 3291/4885

“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.