SCHEMBL7821134

SCHEMBL7821134

O=C(O)c1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
NPC1 O15118 2/20 0.71
RAB9A P51151 2/20 0.71
KMT2A Q03164 8/20 0.70
MEN1 O00255 7/20 0.70
GFER P55789 1/20 0.70
POLB P06746 3/20 0.69
MITF O75030 1/20 0.69
ALDH1A1 P00352 4/20 0.67
HTT P42858 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
MAPK1 P28482 2/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
PKM P14618 1/20 0.59

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
SCHEMBL12189436 0.92 MEN1 (0.64) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9799698 0.85 MEN1 (0.61) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10836873 0.85 KMT2A (0.72) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL13927135 0.85 ALDH1A1 (0.92) KMT2AMEN1GFERPOLBMITF
SCHEMBL2702303 0.84 NPC1 (0.71) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL31155757 0.84 CHRNB2 (0.69) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL15740330 0.84 MEN1 (0.68) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL18132369 0.83 KMT2A (0.62) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL14075408 0.83 MEN1 (0.72) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL25063320 0.83 MAPT (0.69) MAPTSMN1; SMN2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10166237-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2019-01-01 US disclosed
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2017-04-27 US disclosed
US-9464065-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2016-10-11 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO 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-10166237-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, BMP2 MAPT 4575/4885SMN1; SMN2 3908/4885NPC1 3340/4885
US-20170112843-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, BMP2 MAPT 4575/4885SMN1; SMN2 3908/4885NPC1 3340/4885

“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.