SCHEMBL21940078

SCHEMBL21940078

NCc1ccc(Br)cc1OC(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 2/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ SLC6A4 P31645 2/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ PYCR1 P32322 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PTGER1 P34995 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ CSNK2A1 P68400 1/20 0.30
▸ MBOAT4 Q96T53 1/20 0.30

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
SCHEMBL20562595 0.82 L3MBTL1 (0.37) SLC6A4HTR2AKCNH2L3MBTL1PYCR1
SCHEMBL20564011 0.82 PTGDR2 (0.41) SLC6A4HTR2AKCNH2L3MBTL1ALDH1A1
SCHEMBL14748067 0.79 CCR5 (0.41) CCR5CYP2A6SLC6A4HTR2AKCNH2
SCHEMBL31662903 0.79 SLC6A4 (0.35) SLC6A4HTR2AKCNH2L3MBTL1PYCR1
SCHEMBL30994653 0.79 SLC6A4 (0.33) SLC6A4HTR2AKCNH2L3MBTL1PYCR1
SCHEMBL15111147 0.78 L3MBTL1 (0.33) SLC6A4HTR2AKCNH2L3MBTL1PYCR1
SCHEMBL20563120 0.78 CSNK2A1 (0.42) SLC6A4HTR2AKCNH2L3MBTL1PYCR1
SCHEMBL20562760 0.77 PTGDR2 (0.41) L3MBTL1TDP1PTGER1
SCHEMBL29737932 0.77 PTGDR2 (0.41) L3MBTL1TDP1PTGER1
SCHEMBL682486 0.77 MAPK1 (0.43) SLC6A4L3MBTL1TDP1ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 — — US 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 (1 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-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 CCR5 1083/4885CYP2A6 524/4885SLC6A4 2364/4885

“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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