SCHEMBL3125812

SCHEMBL3125812

O=C(CCS)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
LMNA P02545 2/20 0.50
ALOX5 P09917 2/20 0.50
TSHR P16473 2/20 0.49
ESR1 P03372 1/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
REN P00797 1/20 0.47
KMT2A Q03164 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL11277959 0.90 NPC1 (0.46) NPC1RAB9ALMNAALOX5TSHR
SCHEMBL3130089 0.86 NPC1 (0.53) NPC1RAB9ALMNAALOX5TSHR
SCHEMBL7129964 0.84 ALOX5 (0.66) NPC1RAB9ALMNAALOX5TSHR
SCHEMBL3130096 0.82 ALDH1A1 (0.54) NPC1RAB9ALMNAALOX5TSHR
SCHEMBL3750325 0.82 POLB (0.59) NPC1RAB9ALMNAALOX5TSHR
SCHEMBL8504937 0.82 KMT2A (0.68) NPC1RAB9ALMNAALOX5MAPK1
SCHEMBL5146521 0.82 LMNA (0.55) NPC1RAB9ALMNAALOX5TSHR
SCHEMBL27929137 0.81 NPC1 (0.52) NPC1RAB9ALMNAALOX5TSHR
SCHEMBL5460753 0.81 ALDH1A1 (0.54) NPC1RAB9ALMNAALOX5TSHR
SCHEMBL3125806 0.81 NPC1 (0.52) NPC1RAB9ALMNAALOX5TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141148-B1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-07-03 EP disclosed
US-8293781-B2 Indole derivatives having cPLA2 inhibiting activity and applications and production methods of the same DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME ASUBIO PHARMA CO., LTD. (JP) 2010-05-06 US disclosed
EP-2141148-A1 INDOLE DERIVATIVE HAVING CPLA2 INHIBITORY ACTIVITY, USE OF THE SAME AND METHOD FOR PRODUCING THE SAME Asubio Pharma Co., Ltd. (JP) 2010-01-06 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-20100113777-A1 INDOLE DERIVATIVES HAVING cPLA2 INHIBITING ACTIVITY AND APPLICATIONS AND PRODUCTION METHODS OF THE SAME PLA2G4A, PLA2G2E, PLA2G6 NPC1 1359/4885RAB9A 3763/4885LMNA 1862/4885

“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.