SCHEMBL12050634

SCHEMBL12050634

CN1C(=O)NC(=O)C12Cc1cc3nc(-c4ccc5nccnc5c4)[nH]c3cc1C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 12/20 0.48
▸ CALCA P06881 2/20 0.39
▸ TOP1 P11387 2/20 0.36
▸ TOP2A P11388 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SLCO2B1 O94956 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36

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
SCHEMBL12050633 0.84 CALCRL (0.50) CALCRLCALCAALDH1A1SMN1; SMN2HPGD
SCHEMBL3391601 0.80 DGAT1 (0.53) CALCRLTOP1TOP2AALDH1A1SMN1; SMN2
SCHEMBL12050631 0.80 NPBWR1 (0.51) CALCRLTOP1TOP2AALDH1A1SMN1; SMN2
SCHEMBL12050630 0.78 CALCRL (0.48) CALCRLCALCAPDE4APDE4BPDE4C
SCHEMBL12050621 0.77 CALCRL (0.45) CALCRLCALCA
SCHEMBL12050348 0.76 CALCRL (0.49) CALCRLCALCA
SCHEMBL13083799 0.76 PDE4A (0.34) CALCRLCALCATOP1TOP2AALDH1A1
SCHEMBL14535761 0.75 NPBWR1 (0.42) CALCRLCALCAALDH1A1SMN1; SMN2HPGD
SCHEMBL12990722 0.75 CALCA (0.47) CALCRLCALCA
SCHEMBL12050642 0.73 CALCRL (0.45) CALCRLCALCAALDH1A1HPGDHSD17B10

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
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 — — US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 — — US disclosed
US-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists MERCK SHARP & DOHME LLC 2009-09-24 — — 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-20090239870-A1 Spirohydantoin Aryl Cgrp Receptor Antagonists BDKRB1, BDKRB2, CALCRL CALCRL 3/4885CALCA 23/4885TOP1 3306/4885

“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.

Send feedback