SCHEMBL4984089

SCHEMBL4984089

CNc1ccc2c(c1)Cc1cc(N(S)C(N)=O)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.42
ADRA2A P08913 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 4/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HSP90AA1 P07900 1/20 0.36
TLR9 Q9NR96 1/20 0.36

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
SCHEMBL4982830 0.87 RAB9A (0.42) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL4982495 0.86 RAB9A (0.47) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL3981682 0.84 RAB9A (0.45) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL4981458 0.83 RAB9A (0.40) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL3977559 0.83 RAB9A (0.62) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL4979290 0.82 RAB9A (0.43) RAB9AKMT2ACYP1A2ADRA2AMAOA
SCHEMBL4979963 0.80 HTR2C (0.50) RAB9ACYP1A2ADRA2AMAOASLC6A2
SCHEMBL3980305 0.80 RAB9A (0.47) RAB9AKMT2ACYP1A2HTR2CHTR2B
SCHEMBL4975661 0.80 CRHBP (0.41) RAB9AKMT2ACYP1A2POLBNPC1
SCHEMBL3977999 0.79 MAOA (0.44) RAB9ACYP1A2ADRA2AMAOASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 2434/4885KMT2A 1846/4885CYP1A2 555/4885
US-20080113975-A1 THIOUREA COMPOUNDS TPMT, HAVCR2, EIF2AK2 RAB9A 2430/4885KMT2A 2203/4885CYP1A2 556/4885

“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.