SCHEMBL13765739

SCHEMBL13765739

CC1=C(C(=O)OC2CCCc3ccccc32)C(c2cccc3ccccc23)N2NNN=C2N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRBN Q96SW2 4/20 0.34
IDO1 P14902 2/20 0.33
CD38 P28907 2/20 0.33
TP53 P04637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
PKM P14618 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL13209978 0.80 IDO1 (0.40) MEN1KMT2AATMKDM4EALDH1A1
SCHEMBL3005802 0.79 ALDH1A1 (0.52) KMT2AALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL2999360 0.74 ALDH1A1 (0.53) KMT2AALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL9722001 0.64 IDO1 (0.55) MEN1KMT2AKDM4EALDH1A1IDO1
SCHEMBL30290988 0.64 IDO1 (0.58) MEN1KMT2AALDH1A1IDO1FFAR1
SCHEMBL4455923 0.64 IDO1 (0.58) MEN1KMT2AALDH1A1IDO1FFAR1
SCHEMBL28735117 0.63 IDO1 (0.62) MEN1KMT2AALDH1A1IDO1
SCHEMBL2996576 0.63 ALDH1A1 (0.56) KMT2AALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL18817861 0.62 IDO1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2IDO1
SCHEMBL29733350 0.62 IDO1 (0.53) MEN1KMT2AALDH1A1IDO1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US 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 (1 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-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R MEN1 702/4885KMT2A 2146/4885ATM 3542/4885

“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.