SCHEMBL2890375

SCHEMBL2890375

CCOC(=O)/C=C/c1cnn2ccn(Cc3ccc4ccccc4c3)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.49
CDK8 P49336 5/20 0.49
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2D6 P10635 1/20 0.39
CYP3A4 P08684 1/20 0.39
CDK19 Q9BWU1 1/20 0.36
P2RX3 P56373 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
PTGER3 P43115 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 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
SCHEMBL2890377 1.00 CCNC (0.49) CCNCCDK8CYP2C9CYP2C19NPC1
SCHEMBL1137928 0.86 CYP2C9 (0.52) CCNCCDK8CYP2C9CYP2C19RAB9A
SCHEMBL1137925 0.86 CYP2C9 (0.52) CCNCCDK8CYP2C9CYP2C19RAB9A
SCHEMBL2892525 0.81 SMN1; SMN2 (0.43) NPC1RAB9A
SCHEMBL1137471 0.79 VDR (0.43) CYP2C9CYP2C19RAB9A
SCHEMBL1137576 0.74 KMT2A (0.40) CYP2C9CYP2C19PTGDR2
SCHEMBL2973909 0.73 CYP2C9 (0.81) CYP2C9CYP2C19CYP2D6
SCHEMBL2973911 0.73 CYP2C9 (0.81) CYP2C9CYP2C19CYP2D6
SCHEMBL1138279 0.71 CYP19A1 (0.41) CYP2C9
SCHEMBL13206653 0.70 CYP2C9 (0.57) CCNCCDK8CYP2C9CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714017-B2 for prostaglandin-mediated disorders; (E)-3-[1-(2,4-Dichloro-benzyl)-3,3-bis-hydroxymethyl-2-oxo-2,3-dihydro-1H-indol-7-yl]-acrylic acid DECODE GENETICS, EHF (IS) 2010-05-11 US disclosed
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2009-11-26 US disclosed
US-7598397-B2 Sulfonamide peri-substituted bicyclics for occlusive artery disease DECODE GENETICS EHF (IS) 2009-10-06 US disclosed
EP-1814881-A2 CARBOXYLIC ACID PERI - SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE Decode Genetics, Inc. (US) 2007-08-08 EP disclosed
US-20060142355-A1 Carboxylic acid peri-substituted bicyclics for occlusive artery disease DECODE CHEMISTRY, INC. (US) 2006-06-29 US disclosed
WO-2006044415-A2 CARBOXYLIC ACID PERI - SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS, INC. (US) 2006-04-27 WO disclosed
US-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease SAGA INVESTMENTS LLC 2006-04-13 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 (3 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-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGS2 CCNC 1894/4885CDK8 1167/4885CYP2C9 864/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 CCNC 1894/4885CDK8 1167/4885CYP2C9 864/4885
US-20060142355-A1 Carboxylic acid peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGDR CCNC 917/4885CDK8 2316/4885CYP2C9 402/4885

“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.