SCHEMBL27156313

SCHEMBL27156313

CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2c1c(Br)cc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 6/20 0.44
▸ NOD1 Q9Y239 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GALR2 O43603 1/20 0.38
▸ MITF O75030 1/20 0.38

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
SCHEMBL30708759 0.83 ALDH1A1 (0.44) NOD2NOD1ALDH1A1SMN1; SMN2GAA
SCHEMBL26931196 0.83 ALDH1A1 (0.44) NOD2NOD1ALDH1A1SMN1; SMN2GAA
SCHEMBL27156298 0.81 FNTA (0.53) NOD2NOD1SMN1; SMN2NPSR1KDM4E
SCHEMBL27156308 0.79 NOD2 (0.48) NOD2NOD1ALDH1A1GAANPSR1
SCHEMBL27156309 0.79 FNTA (0.52) NOD2NOD1ALDH1A1NPSR1KDM4E
SCHEMBL27156302 0.78 FNTA (0.44) NOD2NOD1ALDH1A1GAANPSR1
SCHEMBL31338823 0.78 ALDH1A1 (0.45) NOD2NOD1ALDH1A1SMN1; SMN2GAA
SCHEMBL27156312 0.77 ELANE (0.46) NOD2NOD1SMN1; SMN2NPSR1KDM4E
SCHEMBL30816143 0.76 KMT2A (0.41) ALDH1A1SMN1; SMN2HTTKDM4EMAPT
SCHEMBL24748610 0.75 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAANPSR1MAPT

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-11919900-B1 1-substituted benzoyl-4-bromopyrrolo[1,2-a]quinoline-3-carboxylate derivatives as antitubercular agents King Faisal University (SA) 2024-03-05 — — US claimed
US-11919900-B1 1-substituted benzoyl-4-bromopyrrolo[1,2-a]quinoline-3-carboxylate derivatives as antitubercular agents King Faisal University (SA) 2024-03-05 — — 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-11919900-B1 1-substituted benzoyl-4-bromopyrrolo[1,2-a]quinoline-3-carboxylate derivatives as antitubercular agents BRD4, BET1, TALDO1 NOD2 2638/4885NOD1 755/4885ALDH1A1 533/4885

“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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