SCHEMBL24414772

SCHEMBL24414772

Fc1ccc(C2=NCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 11/20 0.55
▸ CHRNA3 P32297 11/20 0.55
▸ ALDH1A1 P00352 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MAPK14 Q16539 1/20 0.42
▸ CHRNA7 P36544 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL8151174 0.94 CHRNB4 (0.64) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL4693339 0.78 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL3574404 0.78 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL15665457 0.78 CHRNB4 (0.55) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL2045328 0.78 CHRNB4 (0.57) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL23892004 0.78 CHRNB4 (0.50) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL165812 0.77 CHRNB4 (0.87) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL433117 0.76 CHRNB4 (0.90) CHRNB4CHRNA3ALDH1A1CYP1A2THRB
SCHEMBL19072298 0.74 NPC1 (0.42) ALDH1A1MAPK14NPC1PKMRAB9A
SCHEMBL28386854 0.74 CHRNB4 (0.50) CHRNB4CHRNA3ALDH1A1CYP1A2THRB

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-20220144850-A1 INDOLO HEPTAMYL OXIME ANALOGUE AS PARP INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-05-12 — — US disclosed
CN-109988091-B Preparation method of imine compound 苏州大学 2022-03-18 — — CN 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-20220144850-A1 INDOLO HEPTAMYL OXIME ANALOGUE AS PARP INHIBITOR PARP1, PARP2, PARP3 CHRNB4 2354/4885CHRNA3 1574/4885ALDH1A1 796/4885

“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.

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