SCHEMBL9836362

SCHEMBL9836362

O=C(Cl)N(F)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.53
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ CRHBP P24387 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ TLR9 Q9NR96 1/20 0.52
▸ CES1 P23141 2/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ TSHR P16473 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ FBP1 P09467 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ PHLPP2 Q6ZVD8 1/20 0.42
▸ CES2 O00748 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
SCHEMBL20560199 0.84 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL27635231 0.81 MAPK1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL24393521 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL20560634 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ACES1TDP1
SCHEMBL9836813 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL9837196 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL11844605 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL9834305 0.77 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL3004700 0.77 GAA (0.49) ALDH1A1MEN1KMT2AL3MBTL1CRHBP
SCHEMBL310828 0.75 ALDH1A1 (0.83) ALDH1A1MEN1KMT2AL3MBTL1CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108698982-B Fluorine atom-containing compound and use thereof 日产化学工业株式会社 2021-07-16 — — CN disclosed
EP-3404017-B1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL IND LTD (JP) 2020-05-13 — — EP disclosed
US-10336686-B2 Fluorine atom-containing compound and use thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-07-02 — — US disclosed
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2019-01-31 — — US disclosed
EP-3404017-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF Nissan Chemical Industries, Ltd. (JP) 2018-11-21 — — EP disclosed
CN-108698982-A FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF 日产化学工业株式会社 2018-10-23 — — CN disclosed
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 — — EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 — — US disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 — — US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 — — EP 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-10336686-B2 Fluorine atom-containing compound and use thereof ARF1, ARF5, ARFGAP1 ALDH1A1 982/4885MEN1 755/4885KMT2A 1622/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 ALDH1A1 982/4885MEN1 755/4885KMT2A 1622/4885

“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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