SCHEMBL417651

SCHEMBL417651

COc1ccc(OCCCC(=O)N(C)Cc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.73
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
TSHR P16473 3/20 0.60
LMNA P02545 1/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
ACHE P22303 2/20 0.54
MEN1 O00255 2/20 0.54
BCHE P06276 1/20 0.54
ALOX5 P09917 1/20 0.51

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
SCHEMBL416662 0.89 NPC1 (0.60) MAPK1NPC1RAB9ATSHRLMNA
SCHEMBL414702 0.89 NPC1 (0.60) MAPK1NPC1RAB9ATSHRLMNA
SCHEMBL416693 0.88 TSHR (0.73) MAPK1NPC1TSHRLMNAALOX15
SCHEMBL31329298 0.86 ALOX5 (0.68) MAPK1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL416744 0.85 ALDH1A1 (0.54) MAPK1LMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL416207 0.85 MAPK1 (0.60) MAPK1NPC1RAB9ALMNASMN1; SMN2
SCHEMBL7442885 0.83 KMT2A (0.77) MAPK1NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL4072151 0.81 NPC1 (0.85) MAPK1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL17117493 0.79 NPC1 (0.66) MAPK1NPC1RAB9ATSHRLMNA
SCHEMBL12289378 0.78 RAB9A (0.74) MAPK1NPC1RAB9ASMN1; SMN2TDP1

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 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.