SCHEMBL3978080

SCHEMBL3978080

O=C(Nc1ccccc1)N(S)c1ccc2c(c1)Cc1cc(Br)ccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.46
SLC1A2 P43004 2/20 0.46
SLC1A1 P43005 2/20 0.46
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2A P08913 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2B P41595 1/20 0.39
FAAH O00519 2/20 0.38
SRD5A2 P31213 2/20 0.38
SRD5A1 P18405 1/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL4979619 0.87 SORT1 (0.45) SLC1A3SLC1A2SLC1A1HTR2CRAB9A
SCHEMBL4983894 0.82 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1MAOACYP1A2
SCHEMBL4983727 0.82 MAPT (0.40) CYP1A2RAB9ANPC1ALDH1A1LMNA
SCHEMBL4982196 0.82 MAPT (0.44) SLC1A3SLC1A2SLC1A1RAB9ASMN1; SMN2
SCHEMBL3980745 0.81 NPC1 (0.44) SLC1A3SLC1A2SLC1A1RAB9ANPC1
SCHEMBL4980233 0.79 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1CYP1A2SRD5A2
SCHEMBL4980968 0.79 MEN1 (0.44) RAB9AL3MBTL1POLBCNR1KMT2A
SCHEMBL4975665 0.78 HSP90AA1 (0.46) LMNAL3MBTL1TSHRCNR1KMT2A
SCHEMBL3980811 0.78 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1CYP1A2HTR2C
SCHEMBL4979173 0.77 NAMPT (0.40) SLC1A3SLC1A2SLC1A1CYP1A2SRD5A2

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 5 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-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 SLC1A3 1879/4885SLC1A2 2277/4885SLC1A1 1953/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 SLC1A3 1757/4885SLC1A2 2330/4885SLC1A1 1729/4885

“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.