SCHEMBL19920708

SCHEMBL19920708

CCOC(OOC)c1ccc(-c2nnc(C)o2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 3/20 0.38
AOC3 Q16853 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 4/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TLR8 Q9NR97 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
SCHEMBL17232416 0.91 KDM4E (0.42) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2388630 0.80 TP53 (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL17232418 0.78 NPC1 (0.38) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL2385799 0.76 MEN1 (0.39) KDM4EALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL14804393 0.73 NPC1 (0.56) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL11994389 0.72 NOTUM (0.53) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL17471103 0.72 PDE10A (0.64) KDM4EALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL2388785 0.71 TP53 (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL8282012 0.71 KDM4E (0.71) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL19914142 0.69 PTGS2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057484-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF A PDE10 INHIBITOR OMEROS CORP (US) 2018-03-01 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-20180057484-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF A PDE10 INHIBITOR PDE3A, PDE3B, PDE5A NPC1 4116/4885RAB9A 1133/4885KDM4E 190/4885

“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.