SCHEMBL16258908

SCHEMBL16258908

COC(=O)c1c(OC)c(-c2ccc(CO[Si](C)(C)C(C)(C)C)cc2)nn1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
ADCY10 Q96PN6 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.31
MAPK1 P28482 1/20 0.31
FAAH O00519 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
NAMPT P43490 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC34A1 Q06495 1/20 0.31
ENPP1 P22413 1/20 0.31

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
SCHEMBL10140470 0.91 KCNA3 (0.32) SMN1; SMN2HPGDALDH1A1MEN1KMT2A
SCHEMBL20307752 0.83 SMN1; SMN2 (0.33) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL16258907 0.79 HDAC1 (0.37)
SCHEMBL7972107 0.76 RAB9A (0.45) SMN1; SMN2HPGDALDH1A1LMNATP53
SCHEMBL10172563 0.73 PTGDR2 (0.43) SMN1; SMN2ALDH1A1TP53MEN1KMT2A
SCHEMBL1313112 0.73 LOXL2 (0.51) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL10140911 0.72 MAPT (0.41) SMN1; SMN2HPGDALDH1A1LMNATP53
SCHEMBL505474 0.69 TACR1 (0.38) ALDH1A1LMNAKMT2AMAPTHTT
SCHEMBL9435638 0.68 CYP4F2 (0.50) SMN1; SMN2ALDH1A1LMNATP53KMT2A
SCHEMBL20742521 0.68 XDH (0.42) SMN1; SMN2LMNAFAAH

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 SMN1; SMN2 3004/4885HPGD 340/4885ALDH1A1 1022/4885

“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.