SCHEMBL416247

SCHEMBL416247

CN(Cc1c(F)cccc1Cl)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
GAA P10253 1/20 0.42
HCRTR1 O43613 1/20 0.41
KDM4A O75164 1/20 0.40
POLB P06746 1/20 0.40
BCL2L1 Q07817 1/20 0.39
BAK1 Q16611 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GFER P55789 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL414297 0.92 RAB9A (0.39) MAPK1NPC1RAB9AL3MBTL1KMT2A
SCHEMBL418204 0.82 BCHE (0.40) RAB9AKMT2AMEN1ALDH1A1GAA
SCHEMBL416332 0.82 BCHE (0.49) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL415110 0.82 TDP1 (0.48) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL417604 0.79 TDP1 (0.38) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2485768 0.79 BCHE (0.42) NPC1RAB9AKMT2AALDH1A1MAPT
SCHEMBL412377 0.78 RIPK1 (0.49) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL413456 0.77 RAB9A (0.52) MAPK1NPC1RAB9AKMT2AMEN1
SCHEMBL412947 0.77 FOLH1 (0.47) NPC1RAB9AL3MBTL1KMT2AALDH1A1
SCHEMBL417118 0.77 BCHE (0.39) NPC1RAB9AL3MBTL1ALDH1A1MAPT

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 MAPK1 1712/4885NPC1 76/4885RAB9A 646/4885

“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.