SCHEMBL6816718

SCHEMBL6816718

CC(NC(=O)N(S)c1ccc(C(N)=O)cc1)c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
VNN1 O95497 2/20 0.43
TRPA1 O75762 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ACACB O00763 1/20 0.38
PHGDH O43175 2/20 0.38
PTGER4 P35408 3/20 0.36
F2R P25116 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
GPR139 Q6DWJ6 2/20 0.35
KDM1A O60341 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
SCHEMBL7737905 0.84 ALDH1A1 (0.47) KMT2A
SCHEMBL6811708 0.84 ALDH1A1 (0.47) KMT2A
SCHEMBL7743482 0.84 SMN1; SMN2 (0.42) TRPA1KMT2AMEN1PHGDHPTGER4
SCHEMBL6811356 0.84 KMT2A (0.55) KMT2AMEN1PHGDHPTGER4
SCHEMBL6816712 0.84 ALDH1A1 (0.47) KMT2A
SCHEMBL6819943 0.84 SMN1; SMN2 (0.42) TRPA1KMT2AMEN1PHGDHPTGER4
SCHEMBL6811096 0.84 ALDH1A1 (0.46) KMT2AMEN1PHGDHGPR139
SCHEMBL6815704 0.81 KMT2A (0.50) KMT2AMEN1ATM
SCHEMBL7744085 0.75 HDAC8 (0.41) KMT2APHGDHGPR139
SCHEMBL7946638 0.75 MTOR (0.42) PARP10KMT2AMEN1MTORGPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP claimed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US claimed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US claimed
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP claimed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO claimed
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6335350-B1 VARICELLA-ZOSTER, HUMAN CYTOMEGALO, EPSTEIN-BARR AND KAPOSI HERPESVIRUS TREATMENT AMERICAN HOME PRODUCTS CORPORATION 2002-01-01 US disclosed
US-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US disclosed
US-6262082-B1 Diaminopyridine-containing thiourea inhibitors of herpes viruses WYETH 2001-07-17 US disclosed
US-6262090-B1 Aminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2001-07-17 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 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 (1 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-20010039348-A1 Alpha-methylbenzyl-containing thiourea inhibitors of herpes viruses containing a phenylenediamine group CCR6, HAVCR2, BCOR PARP15 4476/4885PARP10 4211/4885PARP2 3851/4885

“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.