SCHEMBL17231981

SCHEMBL17231981

COc1ccc(CN2Cc3ccccc3C2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.49
HRH2 P25021 1/20 0.44
MC4R P32245 1/20 0.44
MEN1 O00255 1/20 0.43
APAF1 O14727 1/20 0.43
GAA P10253 1/20 0.43
CASP3 P42574 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL29760303 0.84 SIGMAR1 (0.48) SIGMAR1
SCHEMBL5693144 0.84 SIGMAR1 (0.48) SIGMAR1
SCHEMBL17231980 0.81 PPARD (0.47) SIGMAR1MEN1APAF1GAACASP3
SCHEMBL17231983 0.80 MC4R (0.63) SIGMAR1HRH2MC4RMEN1APAF1
SCHEMBL27951589 0.79 SIGMAR1 (0.43) SIGMAR1MEN1APAF1GAACASP3
SCHEMBL24755096 0.76 HDAC1 (0.39) MEN1KMT2A
SCHEMBL6920302 0.74 HDAC8 (0.53) SIGMAR1MEN1GAAKMT2A
SCHEMBL14012100 0.74 PRCP (0.49) MEN1KMT2A
SCHEMBL7127952 0.73 SIGMAR1 (0.47) SIGMAR1HRH2MEN1APAF1GAA
SCHEMBL6920539 0.73 HTR1A (0.50) SIGMAR1

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-9469608-B2 Thrombin inhibitors MERCK SHARP & DOHME CORP. (US) 2016-10-18 US disclosed
US-20150315141-A1 Thrombin Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-11-05 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-20150315141-A1 Thrombin Inhibitors F3, F2, F9 SIGMAR1 1029/4885HRH2 38/4885MC4R 443/4885

“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.