SCHEMBL417291

SCHEMBL417291

COC(=O)c1ccc(SCCCC(=O)N(C)Cc2cc(F)ccc2OC)cc1.COc1ccc(Cl)cc1CN(C)C(=O)CCCSc1ccc(OC(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NLRP3 Q96P20 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
MDM4 O15151 1/20 0.36
MDM2 Q00987 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE6D O43924 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL417292 0.93 TP53 (0.37) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL419726 0.90 HTR2A (0.39) L3MBTL1MEN1KMT2APOLBLMNA
SCHEMBL414627 0.88 MEN1 (0.43) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL415201 0.84 MAPT (0.41) L3MBTL1MEN1KMT2APOLBNPC1
SCHEMBL416610 0.83 NPC1 (0.45) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL415251 0.82 ALDH1A1 (0.42) L3MBTL1MEN1KMT2APOLBNPC1
SCHEMBL415868 0.81 NPC1 (0.50) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL412612 0.80 TDP1 (0.40) MEN1KMT2ANLRP3NPC1RAB9A
SCHEMBL415495 0.80 NPC1 (0.45) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL3252038 0.80 ALDH1A1 (0.31) MEN1KMT2ANPC1RAB9ALMNA

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 L3MBTL1 3171/4885MEN1 4868/4885KMT2A 2843/4885

“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.