SCHEMBL20560199

SCHEMBL20560199

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ TLR9 Q9NR96 1/20 0.50
▸ FBP1 P09467 1/20 0.42
▸ CES1 P23141 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.41
▸ CA1 P00915 3/20 0.40
▸ CA2 P00918 3/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL9836362 0.84 ALDH1A1 (0.53) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL20560642 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL27635231 0.76 MAPK1 (0.53) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL8986915 0.74 ALDH1A1 (0.83) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL310828 0.74 ALDH1A1 (0.83) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL3004700 0.72 GAA (0.49) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL24393521 0.72 ALDH1A1 (0.57) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL27336444 0.71 ALDH1A1 (0.59) ALDH1A1L3MBTL1MEN1CRHBPKMT2A
SCHEMBL20560727 0.71 ALDH1A1 (0.41) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL11838155 0.71 ALDH1A1 (0.53) ALDH1A1L3MBTL1MEN1CRHBPKMT2A

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 5 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

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 982/4885L3MBTL1 3129/4885MEN1 755/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 ALDH1A1 982/4885L3MBTL1 3129/4885MEN1 755/4885

“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.

Send feedback