SCHEMBL20353539

SCHEMBL20353539

O=C(/C=C/c1ccco1)Nc1ccc2cnccc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.67
▸ NPC1 O15118 11/20 0.67
▸ SMN1; SMN2 Q16637 10/20 0.67
▸ ALDH1A1 P00352 8/20 0.67
▸ TP53BP1 Q12888 2/20 0.58
▸ POLB P06746 8/20 0.57
▸ TDP1 Q9NUW8 4/20 0.57
▸ TP53 P04637 3/20 0.57
▸ KMT2A Q03164 11/20 0.57
▸ MAPT P10636 10/20 0.57
▸ MEN1 O00255 10/20 0.57
▸ LMNA P02545 6/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ NFKB2 Q00653 1/20 0.57
▸ RELA Q04206 1/20 0.57
▸ HTT P42858 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56

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
SCHEMBL14680161 0.85 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1TP53BP1
SCHEMBL14124402 0.81 IMPDH2 (0.64) RAB9ANPC1CYP3A4IMPDH2
SCHEMBL20353545 0.79 IMPDH2 (0.49) RAB9ANPC1CYP3A4IMPDH2
SCHEMBL20524931 0.78 CYP3A4 (0.57) RAB9ANPC1POLBKMT2AMAPT
SCHEMBL20524933 0.78 CYP3A4 (0.57) RAB9ANPC1POLBKMT2AMAPT
SCHEMBL20353445 0.77 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL20353541 0.77 RAB9A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL20353548 0.77 LMNA (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1POLB
SCHEMBL20353520 0.76 CYP3A4 (0.52) RAB9ANPC1KMT2AMEN1CYP1A2
SCHEMBL20353518 0.76 MEN1 (0.70) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A

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