SCHEMBL10172739

SCHEMBL10172739

COc1ccccc1-c1nn(C)c(C(=O)O)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
EGLN1 Q9GZT9 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 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
SCHEMBL10140868 0.86 TUBB4A (0.39) BRD4HPGDLMNAGRIA2GRIA4
SCHEMBL10140393 0.82 TP53 (0.48) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL10140710 0.80 TP53 (0.46) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL462903 0.79 HSD11B1 (0.45) BRD4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10082090 0.76 TAAR1 (0.48) BRD4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10140871 0.74 MAPT (0.39) ALDH1A1KDM4EHPGDLMNAGAA
SCHEMBL10140698 0.73 PTGDR2 (0.39) ALDH1A1HPGDHSD17B10LMNASMN1; SMN2
SCHEMBL10140385 0.72 CSF1R (0.49) BRD4ALDH1A1KDM4EHPGDLMNA
SCHEMBL10172745 0.72 PDE4A (0.50) TDP1
SCHEMBL17290320 0.71 ALDH1A1 (0.47) BRD4ALDH1A1KDM4EHPGDLMNA

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
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
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 BRD4 3960/4885ALDH1A1 1022/4885KDM4E 1387/4885

“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.