SCHEMBL916794

SCHEMBL916794

N#Cc1ccccc1Sc1cn(Cc2cc(F)cc(F)c2)c2cc(N)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 7/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.32
APP P05067 1/20 0.32
SNCA P37840 1/20 0.32

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
SCHEMBL709121 0.85 P2RX7 (0.44) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL915366 0.85 ALDH1A1 (0.36) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL917250 0.83 ALDH1A1 (0.37) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL917251 0.83 ALDH1A1 (0.34) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL916264 0.82 ALDH1A1 (0.34) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL5498286 0.81 PGR (0.43) MAPK1P2RX7
SCHEMBL917300 0.80 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL916462 0.80 LMNA (0.36) CYP1A2CYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL708824 0.79 PDE7A (0.43) ALDH1A1MAPTHPGDSMN1; SMN2MEN1
SCHEMBL916474 0.77 IMPDH2 (0.40) ALDH1A1MAPTKDM4EHPGDMEN1

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-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 CYP1A2 281/4885CYP3A4 531/4885CYP2C19 776/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 CYP1A2 677/4885CYP3A4 417/4885CYP2C19 907/4885

“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.