SCHEMBL10140869

SCHEMBL10140869

CC(=O)c1[nH]nc(-c2ccc(C)cc2)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 4/20 0.43
MAP2K4 P45985 4/20 0.43
MAPKAPK3 Q16644 3/20 0.43
MAPK6 Q16659 3/20 0.43
MAPKAPK2 P49137 2/20 0.43
MAPKAPK5 Q8IW41 2/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.41
ALPL P05186 2/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 2/20 0.40
SIRT1 Q96EB6 1/20 0.40
CCNE2 O96020 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 1/20 0.40

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
SCHEMBL7978314 0.83 KDM4C (0.53) MEN1KMT2AMAPK1MAP2K4MAPKAPK3
SCHEMBL10172663 0.80 MAPT (0.51) ALDH1A1SMN1; SMN2LMNAMAPTALPL
SCHEMBL8842823 0.70 RAB9A (0.50) MEN1KMT2AMAPK1MAP2K4MAPKAPK3
SCHEMBL8889163 0.69 MEN1 (0.50) MEN1KMT2AMAPK1MAP2K4MAPKAPK3
SCHEMBL8889349 0.69 ALDH1A1 (0.48) MEN1KMT2AMAPK1MAP2K4MAPKAPK3
SCHEMBL10172532 0.68 HPGDS (0.60) MAPK1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL23294606 0.68 ALPL (0.49) MEN1KMT2AMAPK1MAP2K4MAPKAPK3
SCHEMBL30639651 0.67 ACHE (0.50) MEN1KMT2AMAPK1ALDH1A1SMN1; SMN2
SCHEMBL10962555 0.67 MEN1 (0.47) MEN1KMT2AMAPK1MAP2K4MAPKAPK3
SCHEMBL28749489 0.67 MAP2K4 (0.51) MEN1KMT2AMAPK1MAP2K4MAPKAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 MEN1 994/4885KMT2A 2422/4885MAPK1 3065/4885

“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.