SCHEMBL418472

SCHEMBL418472

O=C(CCCSc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 2/20 0.48
TSHR P16473 2/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALOX5 P09917 2/20 0.46
LTB4R2 Q9NPC1 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
DPP4 P27487 1/20 0.41
G6PC1 P35575 1/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL418467 0.86 NPC1 (0.59) ALDH1A1NPC1LTB4R2RAB9AKMT2A
SCHEMBL417567 0.85 ALDH1A1 (0.47) ALDH1A1NPC1TSHRLMNAALOX15
SCHEMBL419443 0.84 ALDH1A1 (0.57) ALDH1A1NPC1TSHRLMNAALOX15
SCHEMBL2484074 0.84 LMNA (0.47) ALDH1A1NPC1LMNARAB9AKMT2A
SCHEMBL416219 0.81 ALDH1A1 (0.45) ALDH1A1NPC1TSHRLMNAMAPK1
SCHEMBL417273 0.80 ALDH1A1 (0.53) ALDH1A1NPC1TSHRLMNAALOX15
SCHEMBL7129964 0.78 ALOX5 (0.66) ALDH1A1NPC1TSHRLMNAALOX15
SCHEMBL411317 0.78 NPC1 (0.45) ALDH1A1NPC1ALOX5LTB4R2RAB9A
SCHEMBL416241 0.78 ALDH1A1 (0.50) ALDH1A1NPC1LMNALTB4R2RAB9A
SCHEMBL10247697 0.77 NPC1 (0.66) ALDH1A1NPC1RAB9AHDAC3HDAC4

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 ALDH1A1 455/4885NPC1 76/4885TSHR 4221/4885

“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.