SCHEMBL19319895

SCHEMBL19319895

Cn1nc(C(F)(F)F)c(-c2ccc(C(F)(F)F)cc2Cl)c1-c1ccc(OCc2ccc(Cl)cc2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.40
▸ MAOB P27338 8/20 0.40
▸ MAOA P21397 5/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ AR P10275 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL19319884 0.90 ALOX5AP (0.44) ALOX5APMAOBMAOACNR1MEN1
SCHEMBL19307769 0.88 ALOX5AP (0.41) ALOX5APMAOBMAOACNR1MEN1
SCHEMBL19319766 0.85 KMT2A (0.47) ALOX5APMAOBMAOACNR1MEN1
SCHEMBL19319710 0.85 ALOX5AP (0.39) ALOX5APMAOBMAOACNR1MEN1
SCHEMBL19319824 0.83 ALOX5AP (0.40) ALOX5APMAOBMAOAMEN1KMT2A
SCHEMBL19319827 0.82 MAOB (0.44) ALOX5APMAOBMAOAMEN1KMT2A
SCHEMBL19319897 0.82 ALOX5AP (0.41) ALOX5APMAOBMAOACNR1MEN1
SCHEMBL22791045 0.82 MAOB (0.43) ALOX5APMAOBMAOACNR1MEN1
SCHEMBL19319811 0.81 ARF6 (0.47) ALOX5APMAOBMAOACNR1KMT2A
SCHEMBL19319761 0.81 ALOX5AP (0.40) ALOX5APMAOBMAOAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253581-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2017-09-07 — — US disclosed
US-20170253581-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS NORTHWESTERN UNIVERSITY (US) 2017-09-07 — — 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-20170253581-A1 SUBSTITUTED HETEROCYCLES AS c-MYC TARGETING AGENTS MYC, MYCBP, MYCBP2 ALOX5AP 4559/4885MAOB 3127/4885MAOA 3735/4885

“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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