SCHEMBL3406142

SCHEMBL3406142

COc1ccc2c(c1)c(C=O)c(C)n2Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
TSHR P16473 2/20 0.65
MAPK1 P28482 1/20 0.65
PLA2G2A P14555 13/20 0.64
PLA2G1B P04054 1/20 0.64
ALDH1A1 P00352 3/20 0.57
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57

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
SCHEMBL8875757 0.88 PTGS2 (0.64) KMT2ATSHRMAPK1PLA2G2APLA2G1B
SCHEMBL8081123 0.83 PTGER4 (0.64) KMT2ATSHRMAPK1PLA2G2APLA2G1B
SCHEMBL1429516 0.82 PTGER4 (0.50) KMT2ATSHRMAPK1PLA2G2APLA2G1B
SCHEMBL10624841 0.81 LMNA (0.79) KMT2AMAPK1PLA2G2AALDH1A1LMNA
SCHEMBL6820689 0.81 PLA2G2A (0.68) KMT2ATSHRMAPK1PLA2G2APLA2G1B
SCHEMBL13229577 0.80 PLA2G2A (0.52) KMT2ATSHRMAPK1PLA2G2APLA2G1B
SCHEMBL1429332 0.80 KDM4E (0.51) KMT2ATSHRMAPK1PLA2G2AMEN1
SCHEMBL4363430 0.80 PLA2G2A (0.79) KMT2ATSHRMAPK1PLA2G2APLA2G1B
SCHEMBL12301941 0.80 KMT2A (0.68) KMT2ATSHRMAPK1PLA2G2APLA2G1B
SCHEMBL1429306 0.80 KDM4E (0.50) KMT2APLA2G2AMEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP disclosed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US 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 (2 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 KMT2A 2203/4885TSHR 2971/4885MAPK1 3697/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 KMT2A 2203/4885TSHR 2971/4885MAPK1 3697/4885

“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.