SCHEMBL3579555

SCHEMBL3579555

Cc1ccc(Cl)c(C#N)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
HSD17B10 Q99714 3/20 0.39
USP2 O75604 1/20 0.39
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 7/20 0.37
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
TSHR P16473 3/20 0.36
HTT P42858 2/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 4/20 0.35
HPGD P15428 3/20 0.35
ALOX15 P16050 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3976816 0.82 L3MBTL1 (0.39) L3MBTL1HSD17B10USP2KDM4EALDH1A1
SCHEMBL10120883 0.82 HSD17B10 (0.39) L3MBTL1HSD17B10USP2KDM4EALDH1A1
SCHEMBL19914848 0.80 CYP1A2 (0.42) L3MBTL1HSD17B10USP2KDM4EALDH1A1
SCHEMBL6731293 0.78 CYP3A4 (0.39) L3MBTL1HSD17B10USP2KDM4EALDH1A1
SCHEMBL31104337 0.78 NOTUM (0.35) L3MBTL1HSD17B10USP2KDM4EALDH1A1
SCHEMBL16545829 0.78 HSD17B10 (0.41) L3MBTL1HSD17B10USP2KDM4EALDH1A1
SCHEMBL3579553 0.78 KDM4E (0.35) L3MBTL1HSD17B10USP2KDM4EALDH1A1
SCHEMBL10984237 0.78 ALDH1A1 (0.43) L3MBTL1HSD17B10KDM4EALDH1A1MEN1
SCHEMBL31104011 0.78 MAPK1 (0.38) L3MBTL1HSD17B10KDM4EALDH1A1MEN1
SCHEMBL1343673 0.77 HSD17B10 (0.39) L3MBTL1HSD17B10USP2KDM4EALDH1A1

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-7732480-B2 Bicyclic compounds as modulators of androgen receptor function and method BRISTOL-MYERS SQUIBB COMPANY (US) 2010-06-08 US claimed
US-20080096954-A1 Novel Bicyclic Compounds As Modulators of Androgen Receptor Function And Method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-24 US claimed

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-20080096954-A1 Novel Bicyclic Compounds As Modulators of Androgen Receptor Function And Method AR, NR5A1, ESRRA L3MBTL1 4729/4885HSD17B10 155/4885USP2 3121/4885

“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.