SCHEMBL2889685

SCHEMBL2889685

O=C(O)Cc1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.69
ALDH1A1 P00352 6/20 0.47
HIF1A Q16665 1/20 0.47
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
AMY1A P0DUB6 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 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
SCHEMBL2033346 1.00 CYP1A2 (0.69) CYP1A2ALDH1A1HIF1AMAPTMEN1
SCHEMBL28778368 0.89 MAPK1 (0.58) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL15819946 0.87 CYP1A2 (0.64) CYP1A2ALDH1A1HIF1AMAPTMEN1
SCHEMBL1578785 0.87 CYP1A2 (0.64) CYP1A2ALDH1A1HIF1AMAPTMEN1
SCHEMBL6037267 0.86 CYP1A2 (0.73) CYP1A2ALDH1A1MAPTLMNAAMY1A
Hydrochloric Acid SCHEMBL14247410 0.85 CYP1A2 (0.62) CYP1A2ALDH1A1HIF1AMAPTMEN1
SCHEMBL6292292 0.84 CYP1A2 (0.75) CYP1A2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3661590 0.83 CYP1A2 (0.51) CYP1A2ALDH1A1HIF1AMAPTMEN1
SCHEMBL6597479 0.81 CYP1A2 (0.47) CYP1A2ALDH1A1HIF1AMAPTMEN1
SCHEMBL20731895 0.81 CYP1A2 (0.47) CYP1A2ALDH1A1HIF1AMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112135611-B Benzimidazole derivatives as modulators of retinoic acid-related orphan receptor gamma (ROR γ) and pharmaceutical uses thereof 江苏恒瑞医药股份有限公司 2023-01-31 CN disclosed
EP-2098517-B1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE MSD KK (JP) 2013-12-18 EP disclosed
US-8367708-B2 Phenyl-isoxazol-3-ol derivative MSD K.K. (JP) 2013-02-05 US disclosed
EP-2231625-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-09-29 EP disclosed
US-20100130559-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-7723347-B2 Substituted phenylamino-pyrimidines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
EP-2098517-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-09 EP disclosed
WO-2009076140-A1 THIAZOLE AND OXAZOLE KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-18 WO disclosed
US-20080269268-A1 Substituted Phenylamino-Pyrimidines BAYER HEALTHCARE AG (DE) 2008-10-30 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-20080269268-A1 Substituted Phenylamino-Pyrimidines TYMP, DPYD, HPRT1 CYP1A2 376/4885ALDH1A1 598/4885HIF1A 358/4885
US-20100130559-A1 NOVEL PHENYL-ISOXAZOL-3-OL DERIVATIVE GPR119, FFAR3, FFAR2 CYP1A2 1143/4885ALDH1A1 2105/4885HIF1A 1643/4885

“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.