SCHEMBL10185562

SCHEMBL10185562

Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cn1cnc2cnccc21)c1cccc(F)c1

nearest known ligand 0.85

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 15/20 0.85
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
TSHR P16473 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
SCHEMBL30497047 0.92 IDH1 (1.00) IDH1KMT2AMEN1KDM4EUSP2
SCHEMBL15118896 0.92 IDH1 (1.00) IDH1KMT2AMEN1KDM4EUSP2
SCHEMBL15118938 0.91 IDH1 (1.00) IDH1KMT2AMEN1KDM4EUSP2
SCHEMBL29370466 0.91 IDH1 (1.00) IDH1KMT2AMEN1KDM4EUSP2
SCHEMBL30191945 0.91 IDH1 (1.00) IDH1KMT2AMEN1KDM4EUSP2
Hydrochloric Acid SCHEMBL30191851 0.91 IDH1 (0.98) IDH1KMT2AMEN1KDM4EUSP2
Hydrochloric Acid SCHEMBL27209694 0.91 IDH1 (0.98) IDH1KMT2AMEN1KDM4EUSP2
Hydrochloric Acid SCHEMBL30191836 0.91 IDH1 (0.98) IDH1KMT2AMEN1KDM4EUSP2
SCHEMBL15119078 0.86 IDH1 (0.82) IDH1KMT2AMEN1
SCHEMBL29373356 0.85 IDH1 (1.00) IDH1KMT2AMEN1TSHR

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 1/4885KMT2A 234/4885MEN1 719/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A IDH1 1/4885KMT2A 234/4885MEN1 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.