SCHEMBL915366

SCHEMBL915366

CNc1ccc2c(Sc3ccccc3C#N)cn(Cc3cc(F)cc(F)c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
TSHR P16473 1/20 0.36
P2RX7 Q99572 1/20 0.35
IMPDH2 P12268 5/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 3/20 0.34
HPGD P15428 3/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
XDH P47989 1/20 0.34
MAPK1 P28482 1/20 0.33
MAPT P10636 3/20 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
SCHEMBL917251 0.90 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL5498286 0.88 PGR (0.43) P2RX7IMPDH2XDHMAPK1
SCHEMBL916264 0.87 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL916462 0.87 LMNA (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL916794 0.85 CYP1A2 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL709121 0.84 P2RX7 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL916474 0.84 IMPDH2 (0.40) ALDH1A1MEN1KMT2AIMPDH2POLB
SCHEMBL916395 0.83 MAPK1 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL917250 0.82 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL916127 0.81 HPGD (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US claimed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP claimed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 US claimed
US-20110009428-A1 NOVEL ANDROGENS N.V. ORGANON (NL) 2011-01-13 US disclosed
US-7812036-B2 Androgens N.V. ORGANON (NL) 2010-10-12 US disclosed
EP-1742912-B1 NOVEL ANDROGENS ORGANON NV (NL) 2010-08-25 EP disclosed
US-20070225352-A1 Novel Androgens PHARMACOPELA DRUG DISCOVERY, INC. (US) 2007-09-27 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-20070225352-A1 Novel Androgens NR5A1, AR, SHBG ALDH1A1 420/4885MEN1 326/4885KMT2A 1595/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 ALDH1A1 2340/4885MEN1 2248/4885KMT2A 3473/4885

“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.