SCHEMBL8552969

SCHEMBL8552969

C=Cc1cccc([N+](=O)[O-])c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP19A1 P11511 2/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PRMT1 Q99873 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 3/20 0.44
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ERN1 O75460 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GALR3 O60755 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL11852056 0.86 ERN1 (0.46) TDP1ALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL2885741 0.85 ERN1 (0.57) TDP1ALDH1A1CYP19A1MAPTNPSR1
SCHEMBL16960614 0.83 MAPT (0.49) TDP1ALDH1A1CYP19A1MAPTNPSR1
SCHEMBL16952296 0.83 MAPT (0.47) TDP1ALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL358770 0.82 TDP1 (0.61) TDP1ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL2885770 0.81 PRMT1 (0.50) TDP1ALDH1A1CYP19A1MAPTNPSR1
SCHEMBL2884140 0.81 PRMT1 (0.50) TDP1ALDH1A1CYP19A1MAPTNPSR1
SCHEMBL2884138 0.81 PRMT1 (0.50) TDP1ALDH1A1CYP19A1MAPTNPSR1
SCHEMBL22092667 0.80 RAB9A (0.42) TDP1ALDH1A1MAPTNPSR1NPC1
SCHEMBL16952252 0.80 ERN1 (0.41) TDP1ALDH1A1MAPTNPSR1SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
US-11040954-B1 CXCR3 receptor agonists RECEPTOS LLC (US) 2021-06-22 US disclosed
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC 2019-11-14 US disclosed
EP-3507275-A1 CXCR3 RECEPTOR AGONISTS Celgene International II Sarl (CH) 2019-07-10 EP disclosed
WO-2018045246-A1 CXCR3 RECEPTOR AGONISTS CELGENE INTERNATIONAL II SARL (CH) 2018-03-08 WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
CN-100584459-C The application of dehydroabietylamine thiourea catalyst in high antimer both hands control synthesizing chiral compound UNIV LANZHOU 2010-01-27 CN disclosed
CN-101318146-A Application of dehydroabietylamine thiourea catalyst in synthesizing chiral compound with high-antipodism both-hand control UNIV LANZHOU (CN) 2008-12-10 CN disclosed
EP-0833630-A4 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN INC (US) 1998-09-02 EP disclosed
EP-0833630-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE Sugen, Inc. (US) 1998-04-08 EP disclosed
WO-1996040110-A1 NOVEL BENZOPYRAN COMPOUNDS AND METHODS FOR THEIR USE SUGEN, INC. (US) 1996-12-19 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-11040954-B1 CXCR3 receptor agonists CXCR3, CXCR1, CCR7 TDP1 4401/4885ALDH1A1 1802/4885CYP19A1 1945/4885
US-20190345133-A1 CXCR3 RECEPTOR AGONISTS CXCR3, CXCR1, CCR7 TDP1 4401/4885ALDH1A1 1802/4885CYP19A1 1945/4885

“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.