SCHEMBL16285366

SCHEMBL16285366

CCc1ccc(-n2nc[nH]c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.44
NPBWR1 P48145 2/20 0.43
MCHR1 Q99705 2/20 0.43
HCAR1 Q9BXC0 2/20 0.41
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TP53 P04637 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
IGF1R P08069 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL5906335 0.77 ALDH1A1 (0.40) MGLLNPBWR1MCHR1HCAR1POLB
SCHEMBL19643648 0.76 P2RX7 (0.32) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL16283450 0.76 SMN1; SMN2 (0.43) NPBWR1MCHR1KDM4EHPGDALDH1A1
SCHEMBL8721136 0.72 L3MBTL1 (0.51) NPBWR1MCHR1POLBALDH1A1NPC1
SCHEMBL8721252 0.69 PTGS1 (0.40) NPBWR1MCHR1SMN1; SMN2NPC1RAB9A
SCHEMBL8775840 0.68 NPC1 (0.54) MGLLNPBWR1MCHR1POLBALDH1A1
SCHEMBL8718771 0.67 MMP13 (0.36) NPBWR1MCHR1POLBKDM4EALDH1A1
SCHEMBL16285368 0.67 HTT (0.46) MGLLHCAR1TDP1KDM4EAPOBEC3G
SCHEMBL28644729 0.67 MGLL (0.46) MGLLNPBWR1MCHR1HCAR1POLB
SCHEMBL18211463 0.64 MGLL (0.62) MGLLHCAR1POLBTDP1KDM4E

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-9249163-B2 PDE10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA NV. (BE) 2016-02-02 US disclosed
US-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 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-20140364414-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A MGLL 765/4885NPBWR1 2190/4885MCHR1 3792/4885

“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.