SCHEMBL9835938

SCHEMBL9835938

O=C(Cl)N(F)c1cccc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.49
MGLL Q99685 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
SRD5A2 P31213 1/20 0.41
RAB9A P51151 1/20 0.41
CETP P11597 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MPO P05164 1/20 0.40
TSHR P16473 4/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLQ O75417 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
SCHEMBL1847416 0.84 CES2 (0.50) CES2MGLLTP53MAPTMEN1
SCHEMBL9835457 0.83 CES2 (0.49) CES2MGLLTP53MAPTMEN1
SCHEMBL20560278 0.83 MGLL (0.44) CES2MGLLMAPTMEN1KMT2A
SCHEMBL11503905 0.82 CES2 (0.45) CES2MGLLTP53MAPTMEN1
SCHEMBL8601016 0.81 TP53 (0.49) CES2TP53MAPTMEN1HTT
SCHEMBL1118844 0.80 PTGIR (0.46) CES2TP53MAPTMEN1HTT
SCHEMBL28248044 0.78 CES2 (0.47) CES2MGLLSRD5A2
SCHEMBL8600117 0.78 NPSR1 (0.49) CES2TP53MEN1KMT2ASRD5A2
SCHEMBL7592350 0.77 TSHR (0.52) CES2MGLLTP53MAPTMEN1
SCHEMBL440958 0.76 RXFP1 (0.43) CES2MGLLTP53MAPTCETP

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 8 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
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 CES2 2869/4885MGLL 3940/4885TP53 1191/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 CES2 2869/4885MGLL 3940/4885TP53 1191/4885

“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.