SCHEMBL10183200

SCHEMBL10183200

Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1cccc(F)c1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 15/20 0.68
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 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
SCHEMBL10185863 0.99 IDH1 (0.67) IDH1ALDH1A1HTTKMT2AMEN1
SCHEMBL10183204 0.91 IDH1 (0.57) IDH1ALDH1A1HTTKMT2AMEN1
SCHEMBL10183645 0.90 ALDH1A1 (0.56) IDH1ALDH1A1
SCHEMBL10183641 0.88 ALDH1A1 (0.56) IDH1ALDH1A1KMT2AMEN1TSHR
SCHEMBL15119160 0.86 IDH1 (0.74) IDH1ALDH1A1KMT2AMEN1NPC1
SCHEMBL10183643 0.85 IDH1 (0.51) IDH1ALDH1A1HTTKMT2AMEN1
SCHEMBL15118999 0.84 IDH1 (0.70) IDH1ALDH1A1KMT2AMEN1NPC1
SCHEMBL10184104 0.84 IDH1 (0.70) IDH1ALDH1A1KMT2AMEN1NPC1
SCHEMBL10185906 0.84 IDH1 (0.68) IDH1ALDH1A1HTTKMT2AMEN1
SCHEMBL10183240 0.83 IDH1 (0.68) IDH1ALDH1A1KMT2AMEN1NPC1

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 1/4885ALDH1A1 597/4885HTT 152/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A IDH1 1/4885ALDH1A1 597/4885HTT 152/4885

“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.