SCHEMBL20560642

SCHEMBL20560642

O=[N+]([O-])c1cccc(N(F)C(=S)Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.50
▸ TSHR P16473 6/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ FBP1 P09467 1/20 0.45
▸ CES2 O00748 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ACHE P22303 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CRHBP P24387 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ L3MBTL1 Q9Y468 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
SCHEMBL20560634 0.87 ALDH1A1 (0.54) ALDH1A1TSHRLMNATDP1ALOX15
SCHEMBL28136856 0.82 TP53 (0.53) ALDH1A1TSHRLMNAALOX15CES2
SCHEMBL20560199 0.81 ALDH1A1 (0.50) ALDH1A1TSHRTDP1FBP1CES1
SCHEMBL11648138 0.79 L3MBTL1 (0.45) ALDH1A1TSHRLMNACES2CES1
SCHEMBL2312487 0.77 MEN1 (0.48) ALDH1A1TSHRLMNACES2CES1
SCHEMBL11682743 0.77 ALDH1A1 (0.57) ALDH1A1TSHRLMNATDP1ALOX15
SCHEMBL28747054 0.76 TSHR (0.57) ALDH1A1TSHRLMNATDP1ALOX15
SCHEMBL28248514 0.75 TSHR (0.55) ALDH1A1TSHRLMNATDP1ALOX15
SCHEMBL29596265 0.74 ALDH1A1 (0.69) ALDH1A1TSHRLMNATDP1ALOX15
SCHEMBL12100862 0.74 ALDH1A1 (0.69) ALDH1A1TSHRLMNATDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 982/4885TSHR 668/4885LMNA 4627/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 ALDH1A1 982/4885TSHR 668/4885LMNA 4627/4885

“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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