SCHEMBL10185588

SCHEMBL10185588

Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CNc1cccc(F)c1)c1cccc(F)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 15/20 0.73
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47

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
SCHEMBL10183624 0.97 IDH1 (0.73) IDH1MEN1NPC1KMT2AKDM4E
SCHEMBL15119001 0.94 IDH1 (0.72) IDH1MEN1NPC1KMT2AKDM4E
SCHEMBL10185526 0.93 IDH1 (0.66) IDH1MEN1NPC1KMT2AKDM4E
SCHEMBL10185585 0.93 IDH1 (0.66) IDH1MEN1NPC1KMT2AKDM4E
SCHEMBL15119169 0.92 IDH1 (0.71) IDH1MEN1NPC1KMT2AKDM4E
SCHEMBL15119120 0.91 IDH1 (0.68) IDH1MEN1NPC1KMT2AKDM4E
SCHEMBL15119058 0.91 IDH1 (0.72) IDH1MEN1NPC1KMT2ATSHR
SCHEMBL12503189 0.90 IDH1 (0.77) IDH1MEN1NPC1KMT2ATSHR
SCHEMBL15118867 0.90 IDH1 (0.77) IDH1MEN1NPC1KMT2ATSHR
SCHEMBL10183909 0.90 IDH1 (0.67) IDH1MEN1NPC1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 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 (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-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A IDH1 1/4885MEN1 719/4885NPC1 2594/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A IDH1 1/4885MEN1 719/4885NPC1 2594/4885

“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.