SCHEMBL5077463

SCHEMBL5077463

Nc1ccc(NC(=S)Nc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
MAPT P10636 4/20 1.00
MEN1 O00255 2/20 1.00
RAB9A P51151 2/20 1.00
ALDH1A1 P00352 7/20 0.74
CYP3A4 P08684 2/20 0.74
TAS2R38 P59533 2/20 0.74
HSD17B10 Q99714 2/20 0.74
GAA P10253 5/20 0.67
MAOA P21397 2/20 0.67
MAOB P27338 2/20 0.67
LMNA P02545 1/20 0.67
NOX1 Q9Y5S8 3/20 0.61
NPC1 O15118 1/20 0.61
CYP1A2 P05177 3/20 0.60
CYP2C19 P33261 3/20 0.60
CYP2C9 P11712 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PTPN7 P35236 1/20 0.59
ALOX12 P18054 1/20 0.58

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
SCHEMBL8956322 0.89 ALDH1A1 (0.94) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL11317515 0.87 MAPT (0.76) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL132620 0.86 ALDH1A1 (1.00) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL6814473 0.84 KMT2A (0.72) KMT2AMAPTMEN1RAB9AALDH1A1
Thiourea SCHEMBL21055683 0.84 ALDH1A1 (0.85) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL9470190 0.84 ALDH1A1 (0.94) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL27691142 0.82 ALDH1A1 (0.81) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL12070412 0.82 MAPT (0.69) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL9243020 0.82 ALDH1A1 (0.81) KMT2AMAPTMEN1RAB9AALDH1A1
SCHEMBL20057662 0.82 KMT2A (0.69) KMT2AMAPTMEN1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236633-A Blend of transparent polymer, thiourea and copper compounds JUJO PAPER CO., LTD. (JP) 1993-08-17 US claimed
US-4264710-A AN ETHYLENICALLY UNSATURATED COMPOUND, AND A PHOTOPOLYMERIZATION INIATOR FUJI PHOTO FILM CO., LTD. (JP) 1981-04-28 US claimed
US-20110275635-A1 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT THE UAB RESEARCH FOUNDATION (US) 2011-11-10 US disclosed
WO-2010123591-A2 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT THE UAB RESEARCH FOUNDATION (US) 2010-10-28 WO disclosed
US-20080227895-A1 Fire retardant vinyl chloride-based resin composition and molded article thereof MITSUBISHI PLASTICS, INC. (JP) 2008-09-18 US disclosed
US-20060014874-A1 Flame-resistant vinyl chlorride based resin composition and formed product therefrom MITSUBISHI PLASTICS, INC. (JP) 2006-01-19 US disclosed
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-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-6462055-B2 VIRICIDES WYETH 2002-10-08 US disclosed
EP-1144397-A3 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP Wyeth (US) 2002-09-11 EP disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
US-5514740-A SHEET OR FILM HAVING CUPRIC SULFIDE DISPERSED THEREIN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-07 US disclosed
US-5393443-A Hard-coating, heat-absorbing composition and heat-shielding substance JUJO PAPER CO., LTD. (JP) 1995-02-28 US disclosed
CN-1094354-A Polycarbonate-based resin laminate of absorption near infrared ray and formed body thereof DAICEL CHEM (JP) 1994-11-02 CN 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-20110275635-A1 SMALL MOLECULE INHIBITORS OF NADS, NAMNAT, AND NMNAT NAMPT, NAPRT, NNT KMT2A 1419/4885MAPT 833/4885MEN1 889/4885

“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.