SCHEMBL20560736

SCHEMBL20560736

O=C(Cl)Nc1c(F)cccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.49
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
IL2 P60568 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TLR7 Q9NYK1 2/20 0.38
TYK2 P29597 1/20 0.38
STIM1 Q13586 1/20 0.38
ORAI1 Q96D31 1/20 0.38
KAT6A Q92794 1/20 0.38
GRM4 Q14833 1/20 0.38

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
SCHEMBL20560667 0.83 KMT2A (0.55) KMT2AALDH1A1MEN1GAA
SCHEMBL23322563 0.83 PTGS2 (0.49) PTGS2KMT2AALDH1A1
SCHEMBL20560562 0.83 PTGS2 (0.43) PTGS2KMT2AL3MBTL1ALDH1A1IL2
SCHEMBL5022148 0.83 PTGS2 (0.49) PTGS2KMT2AL3MBTL1ALDH1A1
SCHEMBL15625386 0.79 ALDH1A1 (0.49) PTGS2KMT2AALDH1A1KDM4EMEN1
SCHEMBL20560160 0.77 GAA (0.51) PTGS2KMT2AALDH1A1GAATLR7
SCHEMBL20560615 0.76 EPHX2 (0.56) KMT2AKDM4EMEN1GAA
SCHEMBL362448 0.75 PTGS2 (0.46) PTGS2KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL11423813 0.75 PTGS2 (0.43) PTGS2KMT2AALDH1A1IL2KDM4E
SCHEMBL11583003 0.75 PTGS2 (0.43) PTGS2KMT2AALDH1A1IL2KDM4E

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
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
CN-108698982-A FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF 日产化学工业株式会社 2018-10-23 CN 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 PTGS2 4862/4885KMT2A 1622/4885L3MBTL1 3129/4885
US-20190031600-A1 FLUORINE ATOM-CONTAINING COMPOUND AND USE THEREOF ARF1, ARF5, ARFGAP1 PTGS2 4862/4885KMT2A 1622/4885L3MBTL1 3129/4885

“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.