SCHEMBL414373

SCHEMBL414373

COc1c(C)cc(Cl)cc1CN(C)C(=O)CCCSc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
THRB P10828 1/20 0.35
PLA2G7 Q13093 1/20 0.35
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL417261 0.82 THRB (0.36) RAB9ASMN1; SMN2POLBTHRBLMNA
SCHEMBL415201 0.82 MAPT (0.41) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL415495 0.81 NPC1 (0.45) NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL413583 0.81 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1THRB
SCHEMBL413866 0.80 RIPK1 (0.51) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL417990 0.80 LMNA (0.43) NPC1RAB9ATHRBLMNATDP1
SCHEMBL414383 0.79 LMNA (0.47) NPC1RAB9AMAPTALDH1A1THRB
SCHEMBL412451 0.78 ACHE (0.54) NPC1RAB9ALMNATDP1
SCHEMBL416480 0.77 BCHE (0.48) RAB9AMAPTPOLBALDH1A1L3MBTL1
SCHEMBL417867 0.77 POLB (0.47) NPC1RAB9AMAPTSMN1; SMN2POLB

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 4 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 claimed
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 NPC1 76/4885RAB9A 646/4885MAPT 3216/4885

“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.