SCHEMBL915161

SCHEMBL915161

O=[N+]([O-])c1ccc2ccn(Cc3cccnc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.46
SLC29A1 Q99808 1/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HTR7 P34969 1/20 0.45
CYP19A1 P11511 3/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
CDC7 O00311 1/20 0.43
PAX8 Q06710 1/20 0.43
NAMPT P43490 1/20 0.42
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL31661470 0.90 NPC1 (0.48) SLC29A1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7079553 0.90 NPC1 (0.48) SLC29A1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL710146 0.86 HTR7 (0.47) HTR6MAPTHTR7CYP19A1CDC7
SCHEMBL1122365 0.84 NPC1 (0.54) HTR6MAPTALDH1A1HTR7PAX8
SCHEMBL6086636 0.78 IDO1 (0.53) MAPTSMN1; SMN2ALDH1A1KDM4EHTR7
SCHEMBL916458 0.78 HTR6 (0.51) HTR6MAPTALDH1A1CYP11B1
SCHEMBL709684 0.77 HTR7 (0.48) SLC29A1HTR7CDC7PAX8
SCHEMBL917196 0.77 BRD4 (0.51) MAPTSMN1; SMN2ALDH1A1KDM4EHTR7
SCHEMBL6087318 0.76 SLC29A1 (0.48) SLC29A1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7809472 0.76 KMT2A (0.60) HTR6KDM4ECYP11B1

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 HTR6 734/4885SLC29A1 2427/4885MAPT 1573/4885
US-20110009428-A1 NOVEL ANDROGENS NR5A1, AR, NR3C2 HTR6 209/4885SLC29A1 2704/4885MAPT 4558/4885

“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.