SCHEMBL3153751

SCHEMBL3153751

N#Cc1ccc(Cn2cc(C=O)c3ccccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.69
▸ SMN1; SMN2 Q16637 6/20 0.69
▸ HTT P42858 5/20 0.69
▸ NPM1 P06748 1/20 0.66
▸ POLB P06746 1/20 0.65
▸ KMT2A Q03164 4/20 0.63
▸ MAPT P10636 2/20 0.63
▸ CNR2 P34972 1/20 0.61
▸ LMNA P02545 4/20 0.58
▸ TDP1 Q9NUW8 2/20 0.57
▸ SNCA P37840 3/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ APP P05067 2/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ CYP19A1 P11511 2/20 0.53
▸ TSHR P16473 1/20 0.52

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
SCHEMBL28602068 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTTNPM1POLB
SCHEMBL29377589 0.84 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL1418988 0.84 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL8758318 0.83 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HTTPOLBKMT2A
SCHEMBL29503950 0.83 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL4363978 0.83 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL17943665 0.83 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HTTNPM1POLB
SCHEMBL8686788 0.83 APP (0.55) ALDH1A1SMN1; SMN2HTTNPM1POLB
SCHEMBL4363865 0.82 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL15471742 0.82 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2HTTKMT2AMAPT

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-8304421-B2 Indole compounds and their use as radiation sensitizing agents and chemotherapeutic agents VANDERBILT UNIVERSITY (US) 2012-11-06 — — US disclosed
US-20100081678-A1 INDOLE COMPOUNDS AND THEIR USE AS RADIATION SENSITIZING AGENTS AND CHEMOTHERAPEUTIC AGENTS VANDERBILT UNIVERSITY 2010-04-01 — — 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-20100081678-A1 INDOLE COMPOUNDS AND THEIR USE AS RADIATION SENSITIZING AGENTS AND CHEMOTHERAPEUTIC AGENTS IDO1, IDO2, INMT ALDH1A1 599/4885SMN1; SMN2 4678/4885HTT 3135/4885

“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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