SCHEMBL20725548

SCHEMBL20725548

NC(CCc1ccccc1)c1cccc(CNCCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
KCNH2 Q12809 2/20 0.51
BCHE P06276 5/20 0.50
SIGMAR1 Q99720 2/20 0.48
MPO P05164 2/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC2A1 P11166 1/20 0.42

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
SCHEMBL20725551 0.82 ANPEP (0.46) KCNH2SIGMAR1
SCHEMBL20725527 0.80 LOXL2 (0.48) KCNH2
SCHEMBL15283274 0.79 GAA (0.76) GAAMAPTBCHESIGMAR1MPO
Ammonia Solution, Strong SCHEMBL15859332 0.77 GAA (0.73) GAAMAPTBCHESIGMAR1MPO
SCHEMBL8067078 0.77 ANPEP (0.50) KCNH2
SCHEMBL5924988 0.77 ANPEP (0.50) KCNH2
SCHEMBL855071 0.77 ANPEP (0.50) KCNH2
SCHEMBL27348015 0.75 OPRK1 (0.47)
Hydrochloric Acid SCHEMBL9635016 0.75 ANPEP (0.48) KCNH2
SCHEMBL6675557 0.74 MAOA (0.63) GAAMAPTKCNH2BCHESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941242-B2 Amine compound, amine composition, and epoxy resin curing agent MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-03-09 US disclosed
EP-3441385-B1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT MITSUBISHI GAS CHEMICAL CO (JP) 2020-09-02 EP disclosed
US-20190112416-A1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2019-04-18 US disclosed
EP-3441385-A1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT Mitsubishi Gas Chemical Company, Inc. (JP) 2019-02-13 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 (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-20190112416-A1 AMINE COMPOUND, AMINE COMPOSITION, AND EPOXY RESIN CURING AGENT EHMT1, SETDB1, DOT1L GAA 2441/4885MAPT 1538/4885KCNH2 2894/4885
US-10941242-B2 Amine compound, amine composition, and epoxy resin curing agent EHMT1, SETDB1, DOT1L GAA 2441/4885MAPT 1538/4885KCNH2 2894/4885

“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.