SCHEMBL10185585

SCHEMBL10185585

COc1cccc(NCC(=O)N(c2cccc(F)c2)C(C(=O)NC2CCCCC2)c2ccccc2C)c1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 15/20 0.66
THRB P10828 1/20 0.51
ALOX12 P18054 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
KDM4E B2RXH2 1/20 0.46
USP2 O75604 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
SCHEMBL10183909 0.93 IDH1 (0.67) IDH1THRBALOX12SMN1; SMN2KMT2A
SCHEMBL10185588 0.93 IDH1 (0.73) IDH1KMT2AMEN1NPC1LMNA
SCHEMBL10183624 0.91 IDH1 (0.73) IDH1KMT2AMEN1NPC1LMNA
SCHEMBL15119001 0.90 IDH1 (0.72) IDH1KMT2AMEN1NPC1KDM4E
SCHEMBL15119023 0.88 IDH1 (0.67) IDH1KMT2AMEN1NPC1LMNA
SCHEMBL10185899 0.88 IDH1 (0.65) IDH1THRBALOX12SMN1; SMN2KMT2A
SCHEMBL10185526 0.88 IDH1 (0.66) IDH1KMT2AMEN1NPC1KDM4E
SCHEMBL10183682 0.86 IDH1 (0.68) IDH1KMT2AMEN1NPC1KDM4E
SCHEMBL15119120 0.86 IDH1 (0.68) IDH1KMT2AMEN1NPC1KDM4E
SCHEMBL15119058 0.86 IDH1 (0.72) IDH1KMT2AMEN1NPC1

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 1/4885THRB 4161/4885ALOX12 4126/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A IDH1 1/4885THRB 4161/4885ALOX12 4126/4885

“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.