SCHEMBL3975261

SCHEMBL3975261

NC(=S)Nc1ccc2c(c1)C(=O)c1ccccc1-2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 5/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAOA P21397 1/20 0.61
ACE2 Q9BYF1 1/20 0.58
CYP1A2 P05177 2/20 0.56
POLB P06746 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
HTT P42858 1/20 0.56
PTPRC P08575 4/20 0.55

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
SCHEMBL3976836 0.97 ALDH1A1 (0.57) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3974799 0.84 S100A4 (0.52) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22321715 0.79 ACE2 (0.71) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9261554 0.78 MAOA (0.97) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29539012 0.78 MAOA (0.97) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22321742 0.77 TERT (0.61) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16786360 0.76 MAPT (0.60) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL2812760 0.76 MAOA (1.00) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL24634758 0.75 ALDH1A1 (0.69) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22336182 0.75 PTPRC (0.70) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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 10 patents. 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-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 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 (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-20080096875-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, ETV6 ALDH1A1 820/4885MAPT 3656/4885NPC1 1677/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS ALDH1A1 156/4885MAPT 4581/4885NPC1 580/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 ALDH1A1 500/4885MAPT 3833/4885NPC1 1372/4885

“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.