SCHEMBL3784690

SCHEMBL3784690

CCCCc1ccc(N)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
TSHR P16473 5/20 0.45
CTRC Q99895 1/20 0.43
TYR P14679 2/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
TLR8 Q9NR97 2/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
SKP2 Q13309 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 3/20 0.37
ALOX15 P16050 2/20 0.37
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
ALOX5 P09917 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3787093 0.88 CYP3A4 (0.48) CYP3A4TSHRCA1CA2EPHX2
SCHEMBL1299722 0.88 CYP3A4 (0.52) CYP3A4TSHRCA1CA2EPHX2
SCHEMBL3787128 0.85 CYP3A4 (0.45) CYP3A4TSHRCTRCTYRCA1
SCHEMBL11347930 0.82 TYR (0.47) CYP3A4TSHRCTRCTYRTLR8
SCHEMBL4009082 0.81 KCNH2 (0.48) CYP3A4TSHRMAPTKDM4E
SCHEMBL10492538 0.80 TYR (0.46) CYP3A4TSHRCTRCTYRTLR8
SCHEMBL5377652 0.80 TYR (0.46) CYP3A4TSHRCTRCTYRTLR8
SCHEMBL6681310 0.80 IDO1 (0.52) CYP3A4CTRCTYRHTTMEN1
SCHEMBL6676181 0.79 TAAR1 (0.56) CYP3A4TSHRCA1CA2EPHX2
SCHEMBL3789087 0.79 CYP3A4 (0.52) CYP3A4TSHRCTRCCA1CA2

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
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
WO-2009155481-A1 METABOLITES OF SELECTIVE ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF GTX, INC. (US) 2009-12-23 WO disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-3947434-A 9-(P-phenylazoanilino)-7-methyl-1H-imidazo[4,5-f]quinolines MORTON-NORWICH PRODUCTS, INC. (US) 1976-03-30 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 (1 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885TSHR 1688/4885CTRC 319/4885

“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.