Isoquinoline

Isoquinoline

SCHEMBL5124998

C1=NCCc2ccccc21.c1ccc2cnccc2c1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
CYP19A1 P11511 2/20 0.38
TNF P01375 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
CLK1 P49759 1/20 0.31
TRPA1 O75762 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MAPT P10636 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30

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
SCHEMBL56690 0.81 TRPA1 (0.42) CYP11B1CYP11B2CYP19A1NISCHTRPA1
Ammonia Solution, Strong SCHEMBL7979304 0.79 TRPA1 (0.41) CYP11B1CYP11B2CYP19A1NISCHTRPA1
Hydrogen Sulfide SCHEMBL27726723 0.79 TRPA1 (0.41) CYP11B1CYP11B2CYP19A1NISCHTRPA1
Iodide SCHEMBL11466143 0.79 TRPA1 (0.41) CYP11B1CYP11B2CYP19A1NISCHTRPA1
Bromide SCHEMBL7979442 0.79 TRPA1 (0.41) CYP11B1CYP11B2CYP19A1NISCHTRPA1
Methane SCHEMBL29133449 0.79 TRPA1 (0.41) CYP11B1CYP11B2CYP19A1NISCHTRPA1
Hydrochloric Acid SCHEMBL11654712 0.79 TRPA1 (0.41) CYP11B1CYP11B2CYP19A1NISCHTRPA1
SCHEMBL4997779 0.79 TRPA1 (0.41) CYP11B1CYP11B2CYP19A1NISCHTRPA1
Charcoal, Activated SCHEMBL30695269 0.79 TRPA1 (0.41) CYP11B1CYP11B2CYP19A1NISCHTRPA1
Hydrochloric Acid SCHEMBL7976748 0.77 TRPA1 (0.39) CYP11B1CYP11B2CYP19A1NISCHTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896420-B1 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2017-01-18 EP disclosed
US-20140288309-A1 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2014-09-25 US disclosed
US-20080200682-A1 Process of Producing Bleach Boosters BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 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 (2 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-20080200682-A1 Process of Producing Bleach Boosters SQLE, BCHE, CAT CYP11B1 433/4885CYP11B2 235/4885CYP19A1 104/4885
US-20140288309-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT CYP11B1 433/4885CYP11B2 235/4885CYP19A1 104/4885

“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.