SCHEMBL14867342

SCHEMBL14867342

C#CCOc1nc(-c2ccc(C)cc2)c([N+](=O)[O-])c2ccc(OC)cc12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASR P41180 6/20 0.40
MAOB P27338 5/20 0.38
MAOA P21397 3/20 0.38
MAPT P10636 5/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL2428650 0.95 CASR (0.42) CASRMAOBMAOAMAPTKDM4E
SCHEMBL14867280 0.91 CASR (0.37) CASRMAOBMAOAMAPTKDM4E
SCHEMBL14867341 0.90 LMNA (0.41) MAOBMAPTKDM4EALDH1A1NPC1
SCHEMBL2427232 0.84 LMNA (0.46) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL14867288 0.82 MAOB (0.41) CASRMAOBMAOAMAPTTP53
SCHEMBL12324331 0.81 MAPT (0.44) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL14867304 0.80 S1PR4 (0.35) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL14867285 0.79 MAPT (0.46) MAOBMAPTKDM4EALDH1A1NPC1
SCHEMBL14867274 0.79 HPRT1 (0.39) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL14871602 0.77 MAPT (0.44) MAPTKDM4EALDH1A1NPC1RAB9A

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-8883763-B2 Use of isoquinolones for preparing drugs, novel isoquinolones and method for synthesising same UNIVERSITE JOSEPH FOURIER (FR) 2014-11-11 US disclosed
US-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME UNIVERSITE JOSEPH FOURIER (FR) 2013-04-18 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-20130096083-A1 USE OF ISOQUINOLONES FOR PREPARING DRUGS, NOVEL ISOQUINOLONES AND METHOD FOR SYNTHESISING SAME GNAQ, HCCS, SDHA CASR 4854/4885MAOB 1940/4885MAOA 2241/4885

“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.