SCHEMBL20560730

SCHEMBL20560730

Cc1cc(NC(=S)Cl)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NOX1 Q9Y5S8 2/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BLM P54132 1/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL20560595 0.85 KMT2A (0.52) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL20560701 0.82 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL20560673 0.81 NPC1 (0.49) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL12157836 0.81 CYP1A2 (0.53) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL20560699 0.79 KMT2A (0.76) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL20560226 0.78 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL405478 0.76 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL20560572 0.75 GRM4 (0.54) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL2755844 0.74 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL19294196 0.74 RAPGEF4 (0.42) MEN1KMT2AALDH1A1MAPTHTT

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 MEN1 755/4885KMT2A 1622/4885ALDH1A1 982/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 MEN1 755/4885KMT2A 1622/4885ALDH1A1 982/4885

“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.