SCHEMBL3977663

SCHEMBL3977663

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.53
ALDH1A1 P00352 5/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4261173 0.87 CYP1A2 (0.53) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3982022 0.86 CYP1A2 (0.52) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3977111 0.85 CYP1A2 (0.51) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3980293 0.85 CYP1A2 (0.51) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL4265186 0.85 CYP1A2 (0.51) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3981627 0.84 CYP1A2 (0.63) GAAALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL3983507 0.84 ALDH1A1 (0.52) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL3977078 0.82 CYP1A2 (0.54) GAAALDH1A1MAPTPOLBLMNA
SCHEMBL3977801 0.81 LMNA (0.52) ALDH1A1MAPTPOLBLMNASMN1; SMN2
SCHEMBL3979414 0.81 KMT2A (0.57) GAAALDH1A1MAPTLMNASMN1; 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 9 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 GAA 1366/4885ALDH1A1 820/4885MAPT 3656/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 GAA 1288/4885ALDH1A1 500/4885MAPT 3833/4885

“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.