SCHEMBL9911539

SCHEMBL9911539

CC(C)C(=O)Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.61
POLB P06746 1/20 0.61
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TSHR P16473 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL2827227 0.85 POLB (0.52) CYP2C19POLBMEN1KMT2ASMN1; SMN2
SCHEMBL11624025 0.83 MEN1 (0.60) CYP2C19POLBMEN1KMT2ASMN1; SMN2
SCHEMBL31046181 0.82 KMT2A (0.59) CYP2C19POLBMEN1KMT2ASMN1; SMN2
SCHEMBL359218 0.82 KMT2A (0.59) CYP2C19POLBMEN1KMT2ASMN1; SMN2
SCHEMBL8586329 0.82 ALDH1A1 (0.61) CYP2C19POLBMEN1KMT2ASMN1; SMN2
SCHEMBL15395529 0.81 KMT2A (0.57) CYP2C19POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5692150 0.80 ALDH1A1 (0.59) CYP2C19POLBMEN1KMT2ASMN1; SMN2
SCHEMBL7498880 0.80 ALDH1A1 (0.58) CYP2C19POLBMEN1KMT2ASMN1; SMN2
SCHEMBL7731752 0.80 ALDH1A1 (0.59) CYP2C19POLBMEN1KMT2ASMN1; SMN2
SCHEMBL74692 0.80 CYP1A2 (0.62) CYP2C19POLBMEN1KMT2ASMN1; SMN2

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-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 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-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P CYP2C19 3149/4885POLB 3796/4885MEN1 4632/4885

“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.