SCHEMBL371213

SCHEMBL371213

Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)c1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 17/20 0.67
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL371215 1.00 IDH1 (0.67) IDH1ALDH1A1MEN1NPC1KMT2A
SCHEMBL15119196 1.00 IDH1 (0.67) IDH1ALDH1A1MEN1NPC1KMT2A
SCHEMBL371214 1.00 IDH1 (0.67) IDH1ALDH1A1MEN1NPC1KMT2A
SCHEMBL15106722 1.00 IDH1 (0.67) IDH1ALDH1A1MEN1NPC1KMT2A
SCHEMBL15119211 0.98 IDH1 (0.65) IDH1ALDH1A1MEN1NPC1KMT2A
SCHEMBL15119207 0.98 IDH1 (0.65) IDH1ALDH1A1MEN1NPC1KMT2A
SCHEMBL15106501 0.92 IDH1 (0.68) IDH1ALDH1A1MEN1NPC1KMT2A
SCHEMBL12503346 0.92 IDH1 (0.68) IDH1ALDH1A1MEN1NPC1KMT2A
SCHEMBL10184109 0.92 IDH1 (0.68) IDH1ALDH1A1MEN1NPC1KMT2A
SCHEMBL12503344 0.92 IDH1 (0.68) IDH1ALDH1A1MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
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
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP 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 1/4885ALDH1A1 597/4885MEN1 719/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A IDH1 1/4885ALDH1A1 597/4885MEN1 719/4885

“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.