SCHEMBL4334134

SCHEMBL4334134

COC(=O)CC1Cc2ccccc2NC1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.53
HTT P42858 1/20 0.53
EGFR P00533 1/20 0.46
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
PYGL P06737 2/20 0.42
PYGM P11217 1/20 0.42
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
MTNR1A P48039 1/20 0.39

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
SCHEMBL8304087 0.86 HSD17B10 (0.55) HSD17B10HTTBRD4CREBBPGAA
SCHEMBL7073390 0.83 GAA (0.42) HSD17B10HTTEGFRBRD4CREBBP
SCHEMBL3710805 0.82 HSD17B10 (0.49) HSD17B10EGFRBRD4CREBBPPYGL
SCHEMBL4324384 0.82 PYGL (0.43) HSD17B10HTTBRD4CREBBPPYGL
SCHEMBL7072903 0.82 USP2 (0.41) HSD17B10HTTGAAUSP2MEN1
SCHEMBL5779777 0.82 HSD17B10 (0.43) HSD17B10HTTEGFRBRD4GAA
SCHEMBL5811684 0.82 HSD17B10 (0.41) HSD17B10HTTEGFRBRD4GAA
SCHEMBL30563086 0.81 ALDH1A1 (0.45) HSD17B10BRD4CREBBPPYGLPYGM
SCHEMBL5140200 0.81 ALDH1A1 (0.45) HSD17B10BRD4CREBBPPYGLPYGM
SCHEMBL7078712 0.81 POLB (0.42) HSD17B10HTTPYGLPYGMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579363-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2009-08-25 US disclosed
EP-1651643-A4 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC (BM) 2008-10-08 EP disclosed
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM LLC 2007-11-08 US disclosed
US-7253164-B2 Bicyclic compounds and compositions as PDF inhibitors IRM LLC (BM) 2007-08-07 US disclosed
EP-1651643-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2006-05-03 EP disclosed
EP-1615890-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY (US) 2006-01-18 EP disclosed
US-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors IRM LLC 2005-09-08 US disclosed
WO-2005011611-A2 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS IRM, LLC (BM) 2005-02-10 WO disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
WO-2004089903-A1 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed
US-3974165-A Hypotensive agents BRISTOL-MYERS COMPANY (US) 1976-08-10 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 (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-20050197326-A1 Bicyclic compounds and compostions as PDF inhibitors PDF, FDPS, DCTPP1 HSD17B10 2730/4885HTT 1644/4885EGFR 4413/4885
US-20070259852-A1 BICYCLIC COMPOUNDS AND COMPOSITIONS AS PDF INHIBITORS PDF, FDPS, DCTPP1 HSD17B10 1950/4885HTT 3166/4885EGFR 4184/4885

“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.