SCHEMBL14867280

SCHEMBL14867280

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

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.37
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
MAPT P10636 5/20 0.35
TP53 P04637 1/20 0.35
S1PR4 O95977 1/20 0.35
HPRT1 P00492 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
GRM5 P41594 1/20 0.32
ACHE P22303 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL14867342 0.91 CASR (0.40) CASRMAOAMAOBMAPTTP53
SCHEMBL14867304 0.89 S1PR4 (0.35) MAPTS1PR4HPRT1LMNAALDH1A1
SCHEMBL2428650 0.84 CASR (0.42) CASRMAOAMAOBMAPTS1PR4
SCHEMBL14867274 0.83 HPRT1 (0.39) MAPTS1PR4HPRT1LMNAALDH1A1
SCHEMBL14867341 0.80 LMNA (0.41) MAOBMAPTS1PR4LMNAALDH1A1
SCHEMBL14867290 0.75 L3MBTL1 (0.41) MAPTHPRT1LMNAALDH1A1MEN1
SCHEMBL2427232 0.73 LMNA (0.46) MAPTS1PR4LMNAALDH1A1MEN1
SCHEMBL14867288 0.70 MAOB (0.41) CASRMAOAMAOBMAPTTP53
SCHEMBL14867273 0.69 MAPT (0.44) MAPTHPRT1LMNAALDH1A1MEN1
SCHEMBL14867313 0.69 SMN1; SMN2 (0.54) MAPTLMNAALDH1A1MEN1KMT2A

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 4854/4885MAOA 2241/4885MAOB 1940/4885

“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.