SCHEMBL16892098

SCHEMBL16892098

CCOc1ccc(/N=C2\CCCCCN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APOBEC3A P31941 1/20 0.42
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ NQO1 P15559 1/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ PARP1 P09874 1/20 0.39
▸ PSEN1 P49768 6/20 0.39
▸ PSEN2 P49810 6/20 0.39
▸ APH1B Q8WW43 6/20 0.39
▸ NCSTN Q92542 6/20 0.39
▸ APH1A Q96BI3 6/20 0.39
▸ PSENEN Q9NZ42 6/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ SCN1A P35498 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7333677 0.83 HSD17B10 (0.38) PARP1KMT2AALDH1A1MEN1MAPT
SCHEMBL7332315 0.78 NISCH (0.38) APOBEC3GALDH1A1LMNAKDM4EMAPT
SCHEMBL16886019 0.78 NISCH (0.38) APOBEC3GALDH1A1LMNAKDM4EMAPT
SCHEMBL7332320 0.78 NISCH (0.38) APOBEC3GALDH1A1LMNAKDM4EMAPT
SCHEMBL18820353 0.77 NISCH (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11183722 0.75 APOBEC3A (0.41) APOBEC3ACTDSP1APOBEC3GNQO1ADRA2A
SCHEMBL11737053 0.75 MEN1 (0.40) NQO1PSEN1PSEN2APH1BNCSTN
SCHEMBL18819704 0.75 NISCH (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7328246 0.74 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7328244 0.74 ALDH1A1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A

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-9611276-B2 Imidazo bicyclic iminium compounds as antitumor agents THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-04-04 — — US disclosed
US-20150191489-A1 IMIDAZO BICYCLIC IMMINIUM COMPOUNDS AS ANTITUMOR AGENTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2015-07-09 — — 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 (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-20150191489-A1 IMIDAZO BICYCLIC IMMINIUM COMPOUNDS AS ANTITUMOR AGENTS GLI1, SHH, SMO APOBEC3A 3643/4885CTDSP1 2155/4885APOBEC3G 3982/4885

“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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