SCHEMBL414541

SCHEMBL414541

COc1ccc(F)cc1CN(C)C(=O)CCCn1ccc2cc(Br)ccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
NPC1 O15118 1/20 0.41
PPARG P37231 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KRAS P01116 2/20 0.40
PPARA Q07869 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
BCHE P06276 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL416248 0.93 NPC1 (0.43) NPC1PPARGPPARATP53BCHE
SCHEMBL417880 0.90 NPC1 (0.47) POLBNPC1PPARGPPARALMNA
SCHEMBL418373 0.89 NPC1 (0.41) NPC1PPARGPPARALMNATP53
SCHEMBL414591 0.89 NPC1 (0.41) NPC1PPARGMEN1KMT2AKRAS
SCHEMBL417909 0.86 NPC1 (0.39) NPC1PPARGPPARATP53BCHE
SCHEMBL416574 0.83 TNF (0.39) BCHECHRM2CHRM1ACHE
SCHEMBL416672 0.76 NR3C1 (0.42) NPC1MEN1KMT2ALMNAMAPT
SCHEMBL416101 0.76 POLB (0.43) POLBNPC1MEN1KMT2ABCHE
SCHEMBL417531 0.74 POLB (0.43) POLBNPC1MEN1KMT2AMAPT
SCHEMBL417867 0.73 POLB (0.47) POLBNPC1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 POLB 444/4885NPC1 76/4885PPARG 2083/4885

“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.