SCHEMBL3976112

SCHEMBL3976112

NC(=S)Nc1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.55
SLC1A2 P43004 1/20 0.55
SLC1A1 P43005 1/20 0.55
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 1/20 0.53
POLB P06746 1/20 0.48
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.45
ADRA2A P08913 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.40

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
SCHEMBL4088965 0.90 CYP1A2 (0.62) CYP1A2CYP3A4POLBRAB9AKMT2A
SCHEMBL3980301 0.83 CYP1A2 (0.54) CYP1A2CYP3A4POLBRAB9AKMT2A
SCHEMBL3978108 0.83 CYP1A2 (0.77) SLC1A3SLC1A2SLC1A1CYP1A2CYP3A4
SCHEMBL3984275 0.83 CYP1A2 (0.54) CYP1A2CYP3A4POLBRAB9AKMT2A
SCHEMBL3984222 0.82 CYP1A2 (0.57) SLC1A3SLC1A2SLC1A1CYP1A2CYP3A4
SCHEMBL13612898 0.81 CYP1A2 (0.54) CYP1A2CYP3A4POLBRAB9AKMT2A
SCHEMBL3978079 0.81 CYP3A4 (0.68) SLC1A3SLC1A2SLC1A1CYP1A2CYP3A4
SCHEMBL3973701 0.79 RAB9A (0.54) SLC1A3SLC1A2SLC1A1CYP1A2CYP3A4
SCHEMBL3977078 0.79 CYP1A2 (0.54) SLC1A3SLC1A2SLC1A1CYP1A2CYP3A4
SCHEMBL4253135 0.78 MAPT (0.59) CYP1A2CYP3A4POLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101522184-A Thiourea compounds NAT HEALTH RESEARCH INSTITUTES (CN) 2009-09-02 CN disclosed
EP-2056810-A2 THIOUREA COMPOUNDS National Health Research Institutes (TW) 2009-05-13 EP disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080113975-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-05-15 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
US-20080096875-A1 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-04-24 US disclosed
WO-2008022204-A2 THIOUREA COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-02-21 WO disclosed
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US disclosed
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 US disclosed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed
EP-1054886-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-11-29 EP disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 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 (4 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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 SLC1A3 1879/4885SLC1A2 2277/4885SLC1A1 1953/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 SLC1A3 1757/4885SLC1A2 2330/4885SLC1A1 1729/4885
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 SLC1A3 3104/4885SLC1A2 3966/4885SLC1A1 3545/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 SLC1A3 4300/4885SLC1A2 4009/4885SLC1A1 3975/4885

“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.