SCHEMBL417292

SCHEMBL417292

COC(=O)c1ccc(SCCCC(=O)NCCc2cc(F)ccc2OC)cc1.COc1ccc(Cl)cc1CN(C)C(=O)CCCSc1ccc(OC(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 2/20 0.34
F2 P00734 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CCR3 P51677 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PPARG P37231 1/20 0.34

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
SCHEMBL417291 0.93 L3MBTL1 (0.39) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL419726 0.84 HTR2A (0.39) TP53L3MBTL1F2MEN1KMT2A
SCHEMBL414628 0.82 MEN1 (0.47) TP53RXFP1RAB9ANPC1MEN1
SCHEMBL414627 0.81 MEN1 (0.43) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL415201 0.78 MAPT (0.41) L3MBTL1RAB9ANPC1MEN1KMT2A
SCHEMBL416610 0.77 NPC1 (0.45) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL415251 0.76 ALDH1A1 (0.42) TP53L3MBTL1RAB9ANPC1MEN1
SCHEMBL2483598 0.76 RXFP1 (0.33) TP53RXFP1RAB9ANPC1KMT2A
SCHEMBL415868 0.75 NPC1 (0.50) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL412612 0.75 TDP1 (0.40) RAB9ANPC1MEN1KMT2AALDH1A1

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-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

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 TP53 3142/4885RXFP1 4732/4885L3MBTL1 3171/4885

“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.