SCHEMBL6758445

SCHEMBL6758445

Nc1ccc2cn(Cc3cccnc3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.49
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
CHRNA7 P36544 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
CYP11B2 P19099 1/20 0.42
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
SRC P12931 1/20 0.40
TEK Q02763 1/20 0.40
DRD2 P14416 1/20 0.39
KCNH2 Q12809 1/20 0.39
DRD4 P21917 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL31661458 0.77 PLAU (0.50) CYP11B1ALDH1A1PKMCHRNA7SRC
SCHEMBL7084091 0.77 PLAU (0.50) CYP11B1ALDH1A1PKMCHRNA7SRC
SCHEMBL31661440 0.76 ALDH1A1 (0.43) CYP11B1ALDH1A1PKMCHRNA7CHRNB2
SCHEMBL3319079 0.74 ALDH1A1 (0.55) ALDH1A1PKMCHRNA7SRC
SCHEMBL31661532 0.74 ALDH1A1 (0.55) ALDH1A1PKMCHRNA7SRC
SCHEMBL916458 0.74 HTR6 (0.51) CYP11B1ALDH1A1PKMCHRNA7CHRNB2
SCHEMBL5864063 0.71 ALDH1A1 (0.51) ALDH1A1PKMKDM4EUBE2NATM
SCHEMBL27723756 0.71 CYP11B1 (0.57) CYP11B1ALDH1A1PKMCHRNA7CHRNB2
Hydrochloric Acid SCHEMBL19896459 0.71 SRC (0.61) CYP11B1ALDH1A1PKMCHRNA7CHRNB2
SCHEMBL4935379 0.70 CYP11B1 (0.70) CYP11B1ALDH1A1PKMCHRNA7CHRNB2

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-20040087798-A1 Novel amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 US disclosed
EP-1264820-A1 NOVEL AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 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-20040087798-A1 Novel amide compounds H1-2, H1-0, H1-3 CYP11B1 846/4885ALDH1A1 1144/4885PKM 1721/4885

“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.