SCHEMBL8510772

SCHEMBL8510772

CCc1ccc2[nH]c(O)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.45
TRPA1 O75762 1/20 0.42
GPR84 Q9NQS5 2/20 0.41
KIF11 P52732 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
KLF5 Q13887 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
ELANE P08246 1/20 0.37
DDAH1 O94760 1/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL8510138 0.86 DAO (0.49) DAOTRPA1GPR84KIF11NPC1
SCHEMBL3265753 0.80 ALDH1A1 (0.44) DAOKIF11NPC1RAB9AKDM4E
SCHEMBL3266627 0.80 DDAH1 (0.59) DAOKIF11NPC1RAB9ASMN1; SMN2
SCHEMBL9305475 0.79 KIF11 (0.39) DAOTRPA1KIF11NPC1RAB9A
SCHEMBL9305862 0.79 GAA (0.42) DAOKIF11NPC1RAB9AKDM4E
SCHEMBL5681591 0.79 TYMS (0.52) DAOKIF11NPC1RAB9AKDM4E
SCHEMBL11808209 0.77 KIF11 (0.38) DAOKIF11NPC1RAB9AKDM4E
SCHEMBL11261944 0.77 CYP17A1 (0.46) RAB9AALDH1A1ALOX15
SCHEMBL868599 0.76 SMN1; SMN2 (0.43) DAOKIF11NPC1RAB9AKDM4E
SCHEMBL11450213 0.76 DDAH1 (0.46) DAOKIF11NPC1RAB9ASMN1; SMN2

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-20120129872-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA N.V. (BE) 2012-05-24 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-20120129872-A1 FUSED HETEROARYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION MMP3, TIMP3, MMP9 DAO 865/4885TRPA1 4709/4885GPR84 2271/4885

“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.