SCHEMBL5532731

SCHEMBL5532731

CC(Oc1ccc(C(=O)O)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
KLF5 Q13887 1/20 0.54
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 5/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
PKM P14618 2/20 0.48
GAA P10253 1/20 0.48
MLKL Q8NB16 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IDO1 P14902 1/20 0.47
FPR1 P21462 1/20 0.46
MEN1 O00255 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL5530550 0.88 RAB9A (0.58) NPC1RAB9AKLF5LMNASMN1; SMN2
SCHEMBL5515761 0.83 RAB9A (0.48) NPC1RAB9AKLF5LMNASMN1; SMN2
SCHEMBL5517429 0.81 RAB9A (0.46) NPC1RAB9AKLF5LMNASMN1; SMN2
SCHEMBL8556483 0.80 RAB9A (0.45) NPC1RAB9AKLF5LMNASMN1; SMN2
SCHEMBL7596328 0.79 KMT2A (0.47) NPC1RAB9AKLF5LMNASMN1; SMN2
SCHEMBL9427792 0.79 MLKL (0.53) NPC1RAB9AKLF5LMNASMN1; SMN2
SCHEMBL8650022 0.78 KMT2A (0.47) NPC1RAB9AKLF5LMNASMN1; SMN2
SCHEMBL9427505 0.76 ALOX5 (0.46) NPC1RAB9AKLF5LMNASMN1; SMN2
SCHEMBL25012601 0.75 LMNA (0.66) LMNASMN1; SMN2KMT2AKDM4EALDH1A1
SCHEMBL11585253 0.75 LMNA (0.66) LMNASMN1; SMN2KMT2AKDM4EALDH1A1

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-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PFIZER INC 2007-07-05 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-20070155779-A1 BICYCLIC HETEROARYL COMPOUNDS AS PDE10 INHIBITORS PDE12, PDE10A, PDE7A NPC1 1991/4885RAB9A 334/4885KLF5 2517/4885

“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.