SCHEMBL3549592

SCHEMBL3549592

O=C(O)c1cnoc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
ALDH1A1 P00352 5/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
SRD5A2 P31213 1/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 6/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.40
NOTUM Q6P988 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA5 P30532 1/20 0.40
CHRNA4 P43681 1/20 0.40

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
SCHEMBL3544117 0.80 ALDH1A1 (0.53) ALDH1A1POLBRAB9AKMT2AMAPT
SCHEMBL5774677 0.80 MAPT (0.53) ALDH1A1RAB9AMAPTKDM4EGAA
SCHEMBL3552361 0.80 HPGD (0.43) ALDH1A1MAPK1RAB9AKMT2AMAPT
SCHEMBL3173623 0.78 SMN1; SMN2 (0.46) ALDH1A1POLBRAB9AKMT2AKDM4E
SCHEMBL3180927 0.78 BCL2L1 (0.44) ALDH1A1RAB9AKMT2ALMNAKDM4E
SCHEMBL343121 0.78 PTPN1 (0.46) ALDH1A1KDM4E
SCHEMBL3175389 0.78 NPC1 (0.44) ALDH1A1ALOX15RAB9AMAPTLMNA
SCHEMBL9392559 0.77 MAPT (0.43) ALDH1A1CYP3A4RAB9AKMT2AMAPT
SCHEMBL5775120 0.76 PPARG (0.46) ALDH1A1POLBMAPK1KMT2AMAPT
SCHEMBL5774587 0.76 KMT2A (0.42) ALDH1A1POLBCYP3A4RAB9AKMT2A

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-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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 (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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 TDP1 1928/4885ALDH1A1 86/4885POLB 2575/4885

“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.