SCHEMBL21049658

SCHEMBL21049658

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ MITF O75030 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ NCOA3 Q9Y6Q9 1/20 0.51
▸ CTSD P07339 1/20 0.50
▸ S100A4 P26447 2/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ TNF P01375 2/20 0.45
▸ NOD1 Q9Y239 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAOB P27338 1/20 0.43
▸ CDK2 P24941 1/20 0.42

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
SCHEMBL9558553 0.82 CYP3A4 (0.59) CYP3A4MEN1MAPTKMT2ATDP1
SCHEMBL21049655 0.78 GAA (0.58) MEN1MAPTKMT2AMITFGAA
SCHEMBL8957487 0.78 MEN1 (0.58) MEN1MAPTKMT2AMITFGAA
SCHEMBL9768775 0.77 TDP1 (0.54) CYP3A4MEN1MAPTKMT2AMITF
SCHEMBL8058895 0.77 GPR35 (0.69) CYP3A4MEN1MAPTKMT2AMITF
SCHEMBL6349986 0.76 CYP3A4 (0.67) CYP3A4MEN1KMT2ATDP1S100A4
SCHEMBL21049661 0.74 TSHR (0.51) CYP3A4TDP1POLBLMNATSHR
SCHEMBL12192755 0.74 CDK2 (0.56) CYP3A4MEN1KMT2AS100A4CASP6
SCHEMBL10701310 0.73 CYP3A4 (0.62) CYP3A4MEN1MAPTKMT2AGAA
SCHEMBL5837648 0.72 CYP3A4 (0.57) CYP3A4MEN1MAPTKMT2ATDP1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708480-B2 Rubber composition, tire, additive and hydrazide compound OTSUKA CHEMICAL CO., LTD. (JP) 2023-07-25 — — US claimed
CN-109563316-B Rubber composition, tire, additive and hydrazide compound 株式会社普利司通 2021-08-17 — — CN claimed
EP-3495415-B1 RUBBER COMPOSITION, TIRE, ADDITIVE, AND HYDRAZIDE COMPOUND BRIDGESTONE CORP (JP) 2021-01-20 — — EP claimed
WO-2019156093-A1 RUBBER COMPOSITION AND TIRE 株式会社ブリヂストン 2019-08-15 — — WO claimed
WO-2019156094-A1 RUBBER COMPOSITION AND TIRE 株式会社ブリヂストン 2019-08-15 — — WO claimed
US-20190177513-A1 RUBBER COMPOSITION, TIRE, ADDITIVE AND HYDRAZIDE BRIDGESTONE CORPORATION (JP) 2019-06-13 — — US claimed
EP-3495415-A1 RUBBER COMPOSITION, TIRE, ADDITIVE, AND HYDRAZIDE COMPOUND Bridgestone Corporation (JP) 2019-06-12 — — EP claimed
EP-3805306-B1 RUBBER COMPOSITION AND TIRE BRIDGESTONE CORP (JP) 2023-12-27 — — EP disclosed
US-11708480-B2 Rubber composition, tire, additive and hydrazide compound OTSUKA CHEMICAL CO., LTD. (JP) 2023-07-25 — — US disclosed
US-11708480-B2 Rubber composition, tire, additive and hydrazide compound OTSUKA CHEMICAL CO., LTD. (JP) 2023-07-25 — — US disclosed
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-3805306-A1 RUBBER COMPOSITION AND TIRE Bridgestone Corporation (JP) 2021-04-14 — — 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-2019156093-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
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
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

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 1148/4885MEN1 4470/4885MAPT 4045/4885
US-11708480-B2 Rubber composition, tire, additive and hydrazide compound HRH2, HRH1, HEATR1 CYP3A4 1198/4885MEN1 4363/4885MAPT 3768/4885

“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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