SCHEMBL16886019

SCHEMBL16886019

Cc1ccc(/N=C2\CCCCCN2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALOX12 P18054 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HTR3E A5X5Y0 1/20 0.31
▸ SLC22A2 O15244 1/20 0.31
▸ SLC22A1 O15245 1/20 0.31
▸ SLC22A3 O75751 1/20 0.31
▸ HTR3B O95264 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ HTR3A P46098 1/20 0.31

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
SCHEMBL7332320 1.00 NISCH (0.38) NISCHALDH1A1GAAGFERHPGD
SCHEMBL7332315 1.00 NISCH (0.38) NISCHALDH1A1GAAGFERHPGD
SCHEMBL18820266 0.81 GAA (0.41) NISCHALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL7333677 0.81 HSD17B10 (0.38) ALDH1A1GAAMAPTHTR3EHTR3B
SCHEMBL18820390 0.79 GAA (0.42) NISCHALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL16892098 0.78 APOBEC3A (0.42) ALDH1A1HPGDTDP1MAPTLMNA
SCHEMBL18820353 0.78 NISCH (0.41) NISCHALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL11245810 0.77 GAA (0.41) GAATDP1RAB9AMAPTLMNA
SCHEMBL11245811 0.77 GAA (0.41) GAATDP1RAB9AMAPTLMNA
SCHEMBL18819704 0.76 NISCH (0.42) NISCHALDH1A1HPGDSMN1; SMN2RAB9A

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 NISCH 1146/4885ALDH1A1 1015/4885GAA 2182/4885

“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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