Isoquinoline

Isoquinoline

SCHEMBL6261964

NC1OC(=O)c2ccccc21.c1ccc2cnccc2c1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HPGD P15428 2/20 0.37
APAF1 O14727 1/20 0.37
HTT P42858 1/20 0.37
TNF P01375 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MAPK10 P53779 1/20 0.36
MEN1 O00255 1/20 0.35
CASP3 P42574 1/20 0.35
BLM P54132 1/20 0.35
CASP6 P55212 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP8 Q96LD8 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
SCHEMBL868796 0.80 ALDH1A1 (0.53) ALDH1A1HTTMAPTLMNANPC1
Isoquinoline SCHEMBL10651325 0.78 KMT2A (0.35) ALDH1A1MAOAMAOBHPGDAPAF1
SCHEMBL675941 0.72 ALDH1A1 (0.47) ALDH1A1MAOAMAOBHPGDAPAF1
Naphthalene SCHEMBL7327012 0.71 TNF (0.48) MAOAMAOBHTTTNFMAPT
Isoquinoline SCHEMBL31588723 0.71 TNF (0.48) MAOAMAOBHTTTNFMAPT
Isoquinoline SCHEMBL29355164 0.71 TNF (0.48) MAOAMAOBHTTTNFMAPT
Isoquinoline SCHEMBL9654 0.71 TNF (0.48) MAOAMAOBHTTTNFMAPT
Isoquinoline SCHEMBL30286035 0.71 TNF (0.48) MAOAMAOBHTTTNFMAPT
Isoquinoline SCHEMBL1536317 0.71 TNF (0.48) MAOAMAOBHTTTNFMAPT
Isoquinoline SCHEMBL6612840 0.69 CYP1A2 (0.48) HTTTNFMAPTLMNAKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161499-A1 Process for preparation of aminophthalideisoquinolines MITSUBISHI KASEI CORPORATION (JP) 1985-11-21 EP claimed
WO-2005020911-A2 BENZO[1, 3]DIOXOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES OF MAKING AND USING THE SAME ATHERSYS, INC. (US) 2005-03-10 WO disclosed
US-20050049278-A1 Benzo[1,3]dioxole compounds, pharmaceutical compositions thereof, and processes of making and using the same ATHERSYS, INC. 2005-03-03 US disclosed
EP-0161499-B1 PROCESS FOR PREPARATION OF AMINOPHTHALIDEISOQUINOLINES MITSUBISHI KASEI CORPORATION (JP) 1988-07-27 EP disclosed
EP-0161499-A1 Process for preparation of aminophthalideisoquinolines MITSUBISHI KASEI CORPORATION (JP) 1985-11-21 EP disclosed
EP-0161499-A1 Process for preparation of aminophthalideisoquinolines MITSUBISHI KASEI CORPORATION (JP) 1985-11-21 EP disclosed
EP-0161499-A1 Process for preparation of aminophthalideisoquinolines MITSUBISHI KASEI CORPORATION (JP) 1985-11-21 EP 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-20050049278-A1 Benzo[1,3]dioxole compounds, pharmaceutical compositions thereof, and processes of making and using the same CYP4X1, BBOX1, CYP1B1 ALDH1A1 297/4885MAOA 373/4885MAOB 314/4885

“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.