SCHEMBL415110

SCHEMBL415110

CN(Cc1ccccc1F)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
RIPK1 Q13546 2/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
LIPE Q05469 1/20 0.37
DGAT1 O75907 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 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
SCHEMBL419661 0.88 RAB9A (0.43) TDP1MEN1KMT2AALDH1A1RAB9A
SCHEMBL417604 0.87 TDP1 (0.38) TDP1RIPK1MEN1KMT2AALDH1A1
SCHEMBL414300 0.87 BCHE (0.48) TDP1MEN1KMT2AALDH1A1KDM4E
SCHEMBL415391 0.86 ALDH1A1 (0.40) TDP1MEN1KMT2AALDH1A1RAB9A
SCHEMBL416332 0.86 BCHE (0.49) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL413187 0.86 L3MBTL1 (0.41) TDP1MEN1KMT2AALDH1A1RAB9A
SCHEMBL413023 0.85 ACHE (0.52) TDP1ALDH1A1RAB9ANPC1
SCHEMBL414368 0.85 ALDH1A1 (0.40) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL414723 0.85 PLK1 (0.44) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL411317 0.84 NPC1 (0.45) KMT2AALDH1A1RAB9ANPC1LTB4R2

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 6 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
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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 TDP1 4076/4885RIPK1 3432/4885MEN1 4868/4885

“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.