SCHEMBL579775

SCHEMBL579775

Cc1ccc2c(C(=O)O)cn(F)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
NOTUM Q6P988 1/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38
CDK2 P24941 1/20 0.37
MCL1 Q07820 2/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL579403 0.85 MAP2K2 (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL10254311 0.83 KMT2A (0.49) CSNK2A1MEN1KMT2AMAPTKDM4C
SCHEMBL579786 0.83 NR4A2 (0.44) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL18938520 0.79 KMT2A (0.44) CSNK2A1MEN1KMT2AMAPTKDM4C
SCHEMBL10193358 0.78 MEN1 (0.49) CSNK2A1MEN1KMT2AMAPTALDH1A1
SCHEMBL2642568 0.78 CSNK2A1 (0.42) CSNK2A1MEN1KMT2AMAPTKDM4C
SCHEMBL785178 0.75 AKR1C3 (0.49) MAPTALDH1A1KDM4E
SCHEMBL30622587 0.72 KMT2A (0.56) CSNK2A1MEN1KMT2AALDH1A1KDM4E
SCHEMBL12167181 0.72 KMT2A (0.56) CSNK2A1MEN1KMT2AALDH1A1KDM4E
SCHEMBL13798311 0.72 LMNA (0.50) CSNK2A1MEN1KMT2AKDM4CALDH1A1

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
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
EP-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO 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-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS CSNK2A1 586/4885MEN1 4766/4885KMT2A 1654/4885

“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.