SCHEMBL3981682

SCHEMBL3981682

CCCNc1ccc2c(c1)Cc1cc(N(S)C(N)=O)ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.43
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 2/20 0.38
ADRA2A P08913 1/20 0.38
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
SLC1A3 P43003 5/20 0.36
SLC1A2 P43004 5/20 0.36
SLC1A1 P43005 5/20 0.36
TLR9 Q9NR96 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL4979290 0.93 RAB9A (0.43) RAB9ANPC1KMT2APOLBCYP1A2
SCHEMBL4982495 0.90 RAB9A (0.47) RAB9ANPC1KMT2APOLBCYP1A2
SCHEMBL3977559 0.85 RAB9A (0.62) RAB9ANPC1KMT2APOLBCYP1A2
SCHEMBL4984089 0.84 RAB9A (0.43) RAB9ANPC1KMT2APOLBCYP1A2
SCHEMBL3977949 0.83 CRHBP (0.39) RAB9ANPC1CYP1A2HTR2CHTR2B
SCHEMBL4981271 0.82 PIK3CD (0.39) RAB9ANPC1POLBCYP1A2ADRA2A
SCHEMBL4975661 0.82 CRHBP (0.41) RAB9ANPC1KMT2APOLBCYP1A2
SCHEMBL4982830 0.82 RAB9A (0.42) RAB9ANPC1KMT2APOLBCYP1A2
SCHEMBL3977999 0.81 MAOA (0.44) RAB9ANPC1POLBCYP1A2ADRA2A
SCHEMBL4980954 0.81 KDM4E (0.39) RAB9ANPC1POLBCYP1A2TLR9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 2434/4885NPC1 1677/4885KMT2A 1846/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 RAB9A 2430/4885NPC1 1372/4885KMT2A 2203/4885

“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.