SCHEMBL4629613

SCHEMBL4629613

O=c1[nH]c2ccc3ccccc3c2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.54
F2 P00734 1/20 0.52
CFD P00746 1/20 0.52
KMT2A Q03164 1/20 0.47
OGT O15294 1/20 0.46
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
PDE5A O76074 1/20 0.41

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
SCHEMBL7485156 0.79 F2 (0.58) MCL1F2CFDKMT2AOGT
SCHEMBL11040569 0.77 MCL1 (0.43) MCL1F2CFDKMT2AOGT
SCHEMBL7315090 0.74 LMNA (0.48) OGTALDH1A1KDM4EMAPTHTT
SCHEMBL11041800 0.73 TYMS (0.44) MCL1F2CFDOGTMAOA
SCHEMBL11041742 0.71 F2 (0.49) MCL1F2CFDOGTMAOA
SCHEMBL16888357 0.71 F2 (0.49) MCL1F2CFDKMT2AOGT
SCHEMBL31544616 0.70 MCL1 (1.00) MCL1F2CFDKMT2AOGT
SCHEMBL5407779 0.70 MCL1 (1.00) MCL1F2CFDKMT2AOGT
SCHEMBL11750059 0.70 F2 (0.47) F2CFDOGTKDM4ECYP1B1
SCHEMBL11627392 0.69 ELANE (0.41) MCL1F2CFDKMT2AOGT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US claimed
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-09-21 US claimed
EP-1608627-B1 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-05-07 EP disclosed
EP-1608627-B1 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2008-05-07 EP disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-7202251-B2 Bicyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-04-10 US disclosed
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-09-21 US disclosed
EP-0050780-A1 Isocyanato-oxazolinones, method for the preparation of oxazolidin-2-one rings containing plastics precursors, and their use in the preparation of high-molecular plastics BAYER AG (DE) 1982-05-05 EP disclosed
EP-0045892-A1 Process for the preparation of precursors for polymers containing the oxazolin-2-one ring, and their use in the production of high molecular weight polymers BAYER AG (DE) 1982-02-17 EP 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-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists BDKRB2, CALCRL, CCKBR MCL1 4701/4885F2 2055/4885CFD 421/4885

“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.