SCHEMBL5517429

SCHEMBL5517429

CC(Oc1ccc(C(=O)Cc2ccncc2)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.46
NPC1 O15118 8/20 0.46
KLF5 Q13887 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
KMT2A Q03164 4/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5532731 0.81 NPC1 (0.54) RAB9ANPC1KLF5SMN1; SMN2LMNA
SCHEMBL5530550 0.79 RAB9A (0.58) RAB9ANPC1KLF5SMN1; SMN2LMNA
SCHEMBL5515761 0.75 RAB9A (0.48) RAB9ANPC1KLF5SMN1; SMN2LMNA
SCHEMBL8556483 0.72 RAB9A (0.45) RAB9ANPC1KLF5SMN1; SMN2LMNA
SCHEMBL7596328 0.71 KMT2A (0.47) RAB9ANPC1KLF5SMN1; SMN2LMNA
SCHEMBL9427792 0.71 MLKL (0.53) RAB9ANPC1KLF5SMN1; SMN2LMNA
SCHEMBL5526616 0.71 PDE10A (0.42)
SCHEMBL4031370 0.70 KMT2A (0.48) RAB9ANPC1SMN1; SMN2LMNACYP1A2
SCHEMBL8650022 0.70 KMT2A (0.47) RAB9ANPC1KLF5SMN1; SMN2LMNA
SCHEMBL4031376 0.69 LMNA (0.43) RAB9ANPC1KLF5SMN1; SMN2LMNA

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 RAB9A 334/4885NPC1 1991/4885KLF5 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.