SCHEMBL27211468

SCHEMBL27211468

CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2ccc(N)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ GAA P10253 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ FNTA P49354 5/20 0.41
▸ FNTB P49356 5/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ GALR2 O43603 1/20 0.39
▸ MITF O75030 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ CCR6 P51684 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
SCHEMBL24748610 0.77 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2HPGDGLA
SCHEMBL31338823 0.76 ALDH1A1 (0.45) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL27211444 0.76 ALDH1A1 (0.51) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL27211499 0.76 FNTA (0.52) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL27211517 0.76 FNTA (0.52) ALDH1A1GAAKDM4EHPGDGLA
SCHEMBL26931196 0.75 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL30708759 0.75 ALDH1A1 (0.44) ALDH1A1GAASMN1; SMN2KDM4EHPGD
SCHEMBL27211503 0.75 BCHE (0.52) ALDH1A1GAAKDM4EHPGDMAPT
SCHEMBL1523174 0.75 ALDH1A1 (0.67) ALDH1A1GAASMN1; SMN2HPGDGLA
SCHEMBL27156313 0.73 NOD2 (0.44) ALDH1A1GAASMN1; SMN2KDM4EHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976066-B1 Substituted 7-amino-3-(substituted benzoyl)indolizine-1-carboxylates as anti-tubercular agents King Faisal University (SA) 2024-05-07 — — 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-11976066-B1 Substituted 7-amino-3-(substituted benzoyl)indolizine-1-carboxylates as anti-tubercular agents BET1, INMT, IDO1 ALDH1A1 612/4885GAA 1199/4885SMN1; SMN2 4849/4885

“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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