SCHEMBL9558553

SCHEMBL9558553

O=C(O)c1cc2ccccc2c([N+](=O)[O-])c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.59
▸ GPR35 Q9HC97 2/20 0.56
▸ POLB P06746 2/20 0.56
▸ CDK2 P24941 2/20 0.56
▸ CYP2D6 P10635 1/20 0.54
▸ S100A4 P26447 2/20 0.53
▸ CASP6 P55212 1/20 0.51
▸ ME2 P23368 1/20 0.48
▸ ME1 P48163 1/20 0.48
▸ ME3 Q16798 1/20 0.48
▸ HPGD P15428 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ LDHA P00338 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ ATIC P31939 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46

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
SCHEMBL12192755 0.88 CDK2 (0.56) CYP3A4GPR35POLBCDK2CYP2D6
SCHEMBL5836018 0.84 CYP3A4 (0.59) CYP3A4GPR35POLBCDK2CYP2D6
SCHEMBL9827265 0.84 CYP3A4 (0.59) CYP3A4GPR35POLBCDK2CYP2D6
SCHEMBL5837648 0.83 CYP3A4 (0.57) CYP3A4GPR35POLBCDK2CYP2D6
SCHEMBL21049658 0.82 CYP3A4 (0.53) CYP3A4GPR35POLBCDK2S100A4
SCHEMBL6631502 0.82 PTPN1 (0.46) GPR35POLBCDK2S100A4CASP6
SCHEMBL6349986 0.80 CYP3A4 (0.67) CYP3A4GPR35CDK2S100A4CASP6
SCHEMBL1287816 0.80 WDR5 (0.59) CYP3A4POLBCDK2S100A4HPGD
SCHEMBL9636835 0.80 CYP3A4 (0.53) CYP3A4GPR35POLBCDK2CYP2D6
SCHEMBL3391301 0.78 POLB (0.69) GPR35POLBCYP2D6CASP6ME2

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
US-4224221-A Modifier composition for azo pigments based on 2-hydroxy-3-naphthoic acid AMERICAN CYANAMID COMPANY (US) 1980-09-23 — — US claimed
US-11708480-B2 Rubber composition, tire, additive and hydrazide compound OTSUKA CHEMICAL CO., LTD. (JP) 2023-07-25 — — US disclosed
CN-109563316-B Rubber composition, tire, additive and hydrazide compound 株式会社普利司通 2021-08-17 — — CN disclosed
EP-3495415-B1 RUBBER COMPOSITION, TIRE, ADDITIVE, AND HYDRAZIDE COMPOUND BRIDGESTONE CORP (JP) 2021-01-20 — — EP disclosed
WO-2019156093-A1 RUBBER COMPOSITION AND TIRE 株式会社ブリヂストン 2019-08-15 — — WO disclosed
WO-2019156094-A1 RUBBER COMPOSITION AND TIRE 株式会社ブリヂストン 2019-08-15 — — WO disclosed
US-20190177513-A1 RUBBER COMPOSITION, TIRE, ADDITIVE AND HYDRAZIDE BRIDGESTONE CORPORATION (JP) 2019-06-13 — — US disclosed
EP-3495415-A1 RUBBER COMPOSITION, TIRE, ADDITIVE, AND HYDRAZIDE COMPOUND Bridgestone Corporation (JP) 2019-06-12 — — EP disclosed
CN-109563316-A Rubber composition, tire, additive and hydrazide compound 株式会社普利司通 2019-04-02 — — CN disclosed
US-5201945-A Mixture of water soluble polysaccharide and organic acid SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-04-13 — — US disclosed
US-4224221-A Modifier composition for azo pigments based on 2-hydroxy-3-naphthoic acid AMERICAN CYANAMID COMPANY (US) 1980-09-23 — — 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-20190177513-A1 RUBBER COMPOSITION, TIRE, ADDITIVE AND HYDRAZIDE HRH2, HRH1, HEATR1 CYP3A4 1148/4885GPR35 1021/4885POLB 1393/4885
US-11708480-B2 Rubber composition, tire, additive and hydrazide compound HRH2, HRH1, HEATR1 CYP3A4 1198/4885GPR35 981/4885POLB 1276/4885

“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.

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