SCHEMBL416662

SCHEMBL416662

CN(Cc1ccccc1)C(=O)CCCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
MAPK1 P28482 2/20 0.60
LMNA P02545 1/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
HSD17B10 Q99714 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
ALOX5 P09917 3/20 0.57
KMT2A Q03164 2/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.54
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
MEN1 O00255 1/20 0.54
EGFR P00533 2/20 0.53
ACKR3 P25106 1/20 0.53

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
SCHEMBL414702 0.92 NPC1 (0.60) NPC1RAB9AMAPK1LMNAALOX15
SCHEMBL417651 0.89 MAPK1 (0.73) NPC1RAB9AMAPK1LMNAALOX15
SCHEMBL8935398 0.86 RAB9A (0.60) NPC1RAB9AMAPK1SMN1; SMN2ALOX5
SCHEMBL17117493 0.85 NPC1 (0.66) NPC1RAB9AMAPK1LMNAALOX15
SCHEMBL8652025 0.83 ALOX5 (0.76) NPC1RAB9AMAPK1SMN1; SMN2ALOX5
SCHEMBL4072151 0.81 NPC1 (0.85) NPC1RAB9AMAPK1SMN1; SMN2ALOX5
SCHEMBL6418344 0.80 ALOX5 (0.74) NPC1RAB9AMAPK1SMN1; SMN2ALOX5
SCHEMBL1172055 0.79 FFAR1 (0.71) LMNAALOX5PTGS1PTGS2
SCHEMBL1171782 0.79 ALOX5 (0.54) NPC1RAB9ALMNASMN1; SMN2ALOX5
SCHEMBL415549 0.78 RAB9A (0.74) NPC1RAB9AMAPK1SMN1; SMN2ALOX5

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 8 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-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 claimed
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 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 NPC1 76/4885RAB9A 646/4885MAPK1 1712/4885

“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.