SCHEMBL2892525

SCHEMBL2892525

CCOC(=O)c1cnn2ccn(Cc3ccc4ccccc4c3)c12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
TSHR P16473 3/20 0.39
MAPT P10636 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
SCHEMBL1137576 0.84 KMT2A (0.40) KMT2A
SCHEMBL2890375 0.81 CCNC (0.49) NPC1RAB9A
SCHEMBL2890377 0.81 CCNC (0.49) NPC1RAB9A
SCHEMBL1138279 0.75 CYP19A1 (0.41) KMT2A
SCHEMBL6799487 0.74 CYP11B2 (0.48) SMN1; SMN2NPC1KDM4ELMNAGABRA1
SCHEMBL1137471 0.74 VDR (0.43) KMT2AKDM4EALDH1A1RAB9AMAPT
SCHEMBL1137925 0.73 CYP2C9 (0.52) RAB9A
SCHEMBL1137928 0.73 CYP2C9 (0.52) RAB9A
SCHEMBL6801734 0.73 KDM4E (0.49) SMN1; SMN2NPC1KDM4ELMNAALDH1A1
SCHEMBL6800674 0.72 SMN1; SMN2 (0.49) SMN1; SMN2NPC1KDM4EALDH1A1HPGD

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-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-20060142355-A1 Carboxylic acid peri-substituted bicyclics for occlusive artery disease DECODE CHEMISTRY, INC. (US) 2006-06-29 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-20060142355-A1 Carboxylic acid peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGDR SMN1; SMN2 3932/4885KMT2A 4099/4885NPC1 2922/4885

“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.