SCHEMBL10183641

SCHEMBL10183641

O=C(NC1CCCCC1)C(c1ccccc1)N(C(=O)c1ccccn1)c1cccc(F)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
TSHR P16473 2/20 0.55
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
IDH1 O75874 8/20 0.52
KDM4E B2RXH2 1/20 0.52
USP2 O75604 1/20 0.52
POLB P06746 1/20 0.50

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
SCHEMBL10183204 0.89 IDH1 (0.57) ALDH1A1KMT2AMEN1IDH1
SCHEMBL10183645 0.88 ALDH1A1 (0.56) ALDH1A1IDH1
SCHEMBL10183200 0.88 IDH1 (0.68) ALDH1A1TSHRKMT2AMEN1IDH1
SCHEMBL10185844 0.86 KMT2A (0.52) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL10185863 0.86 IDH1 (0.67) ALDH1A1KMT2AMEN1IDH1
SCHEMBL10183650 0.84 TSHR (0.49) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL10185492 0.80 L3MBTL1 (0.48) ALDH1A1TSHRKMT2AMEN1L3MBTL1
SCHEMBL10183791 0.78 IDH1 (0.82) TSHRKMT2AMEN1IDH1KDM4E
SCHEMBL10185848 0.78 IDH1 (0.82) TSHRKMT2AMEN1IDH1KDM4E
SCHEMBL10184160 0.77 MEN1 (0.61) TSHRKMT2AMEN1IDH1KDM4E

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 ALDH1A1 597/4885TSHR 4760/4885KMT2A 234/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A ALDH1A1 597/4885TSHR 4760/4885KMT2A 234/4885

“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.