SCHEMBL20353541

SCHEMBL20353541

O=C(/C=C/c1cccs1)Nc1ccc2cnccc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.67
▸ NPC1 O15118 10/20 0.67
▸ SMN1; SMN2 Q16637 9/20 0.67
▸ ALDH1A1 P00352 6/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ MAPT P10636 5/20 0.55
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ TP53 P04637 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ PSMD14 O00487 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ MAPK1 P28482 2/20 0.53
▸ IMPDH2 P12268 4/20 0.52
▸ POLB P06746 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HPGD P15428 1/20 0.50
▸ CASP3 P42574 1/20 0.49

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
SCHEMBL14124402 0.81 IMPDH2 (0.64) RAB9ANPC1IMPDH2
SCHEMBL27752050 0.80 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20353546 0.79 IMPDH2 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19241846 0.77 IMPDH2 (0.49) MAPTMEN1KMT2ALMNAIMPDH2
SCHEMBL20353539 0.77 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20353445 0.77 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20353537 0.77 ALDH1A1 (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27929735 0.76 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20353520 0.76 CYP3A4 (0.52) RAB9ANPC1MEN1KMT2AIMPDH2
SCHEMBL20353518 0.76 MEN1 (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E

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-10472327-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2019-11-12 — — US disclosed
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS ALCON INC. (CH) 2018-07-05 — — 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-10472327-B2 6-aminoisoquinoline compounds COQ8A, PGC, AGK RAB9A 568/4885NPC1 510/4885SMN1; SMN2 4148/4885
US-20180186746-A1 6-AMINOISOQUINOLINE COMPOUNDS COQ8A, PGC, AGK RAB9A 568/4885NPC1 510/4885SMN1; SMN2 4148/4885

“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.

Send feedback