SCHEMBL2912053

SCHEMBL2912053

NC(=O)c1ccccc1CN1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ FABP4 P15090 1/20 0.51
▸ PARP1 P09874 6/20 0.47
▸ PARP2 Q9UGN5 2/20 0.47
▸ PARP3 Q9Y6F1 2/20 0.47
▸ APOBEC3A P31941 1/20 0.47
▸ APOBEC3G Q9HC16 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 1/20 0.45

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
SCHEMBL2774515 0.98 NPC1 (0.51) NPC1ALDH1A1MEN1KMT2AFABP4
SCHEMBL11361974 0.85 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AFABP4APOBEC3A
SCHEMBL4502911 0.84 HRH3 (0.57) NPC1ALDH1A1MEN1KMT2AFABP4
SCHEMBL4878350 0.84 HDAC3 (0.55) ALDH1A1KMT2APARP1PARP2PARP3
SCHEMBL2228234 0.84 KDM4E (0.58) NPC1ALDH1A1MEN1KMT2APARP1
SCHEMBL6842740 0.84 LMNA (0.54) ALDH1A1PARP1PARP2KDM4E
SCHEMBL885730 0.84 CYP2A13 (0.55) ALDH1A1PARP1PARP2KDM4E
SCHEMBL11871949 0.83 MEN1 (0.56) ALDH1A1MEN1KMT2AAPOBEC3AAPOBEC3G
SCHEMBL7433040 0.83 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AFABP4APOBEC3A
Hydrochloric Acid SCHEMBL27770346 0.83 HRH3 (0.55) NPC1ALDH1A1KMT2AFABP4PARP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2784065-B1 GLYCINE REUPTAKE INHIBITOR AND USE THEREOF BEIJING MEDISAN TECHNOLOGY CO LTD (CN) 2016-10-05 — — EP disclosed
EP-1940786-B1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LTD (GB) 2010-08-18 — — EP disclosed
US-20080255105-A1 Biphenyl Derivatives and Their Use in Treating Hepatitis C ARROW THERAPEUTICS LIMITED (GB) 2008-10-16 — — US disclosed
EP-1940786-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2008-07-09 — — EP disclosed
WO-2007031791-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-03-22 — — 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 (3 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-20080255105-A1 Biphenyl Derivatives and Their Use in Treating Hepatitis C NR4A1, NR0B1, NR1H4 NPC1 146/4885ALDH1A1 441/4885MEN1 3163/4885
US-20200199094-A1 BENZAMIDE DERIVATIVES FOR INHIBITING ENDOPLASMIC RETICULUM (ER) STRESS HSPA5, TMBIM6, BAD NPC1 2297/4885ALDH1A1 3506/4885MEN1 4714/4885
US-11203582-B2 Benzamide derivatives for inhibiting endoplasmic reticulum (ER) stress HSPA5, TMBIM6, BAD NPC1 2297/4885ALDH1A1 3506/4885MEN1 4714/4885

“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.

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