SCHEMBL20560643

SCHEMBL20560643

Fc1ccc(Br)cc1C(=S)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 4/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.37
ALOX12 P18054 1/20 0.37
CES2 O00748 1/20 0.36
GALR3 O60755 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
FLT1 P17948 1/20 0.36

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
SCHEMBL20560720 0.83 DGAT1 (0.55) DGAT1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL181200 0.79 ALDH1A1 (0.52) DGAT1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL16079246 0.79 DGAT1 (0.41) DGAT1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL29401981 0.79 ALDH1A1 (0.52) DGAT1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL15609067 0.79 DGAT1 (0.50) DGAT1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL20560609 0.78 CES2 (0.56) ALDH1A1KMT2AHPGDMAPTCES2
SCHEMBL20560588 0.78 ALDH1A1 (0.39) ALDH1A1LMNAKMT2AMAPTTP53
SCHEMBL16011576 0.76 DGAT1 (0.39) DGAT1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL30667925 0.76 DGAT1 (0.39) DGAT1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL16011575 0.76 DGAT1 (0.39) DGAT1ALDH1A1LMNAKMT2ASMN1; SMN2

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 DGAT1 1948/4885ALDH1A1 982/4885LMNA 4627/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 DGAT1 1948/4885ALDH1A1 982/4885LMNA 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.