SCHEMBL26931196

SCHEMBL26931196

CCOC(=O)c1cc(C(=O)c2ccccc2[N+](=O)[O-])n2c1ccc1cc(C)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ NOD2 Q9HC29 4/20 0.41
▸ NOD1 Q9Y239 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ GALR2 O43603 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HPGD P15428 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 1.00 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2GAANOD2NOD1
SCHEMBL27156313 0.83 NOD2 (0.44) ALDH1A1SMN1; SMN2GAANOD2NOD1
SCHEMBL26930792 0.82 FNTA (0.53) ALDH1A1SMN1; SMN2NOD2NOD1MAPT
SCHEMBL31338823 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2GAANOD2NOD1
SCHEMBL30708803 0.80 NOD2 (0.47) ALDH1A1SMN1; SMN2NOD2NOD1MAPT
SCHEMBL26930708 0.80 NOD2 (0.47) ALDH1A1SMN1; SMN2NOD2NOD1MAPT
SCHEMBL27165736 0.76 FNTA (0.54) ALDH1A1NOD2NOD1MAPTKDM4E
SCHEMBL26931200 0.76 FNTA (0.45) ALDH1A1GAANOD2NOD1MAPT
SCHEMBL26931128 0.76 FNTA (0.54) NOD2NOD1MAPTHTTKDM4E
SCHEMBL24748610 0.76 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11938120-B1 Ethyl 2-substituted-1-(substitutedbenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate derivatives as anti-tubercular agents King Faisal University (SA) 2024-03-26 — — US claimed
US-11938120-B1 Ethyl 2-substituted-1-(substitutedbenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate derivatives as anti-tubercular agents King Faisal University (SA) 2024-03-26 — — US disclosed
US-11845746-B1 Ethyl 2-substituted-1-(substitutedbenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate derivatives as anti-tubercular agents King Faisal University (SA) 2023-12-19 — — 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 (2 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-11845746-B1 Ethyl 2-substituted-1-(substitutedbenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate derivatives as anti-tubercular agents BET1, RABGGTB, EP300 ALDH1A1 824/4885SMN1; SMN2 4857/4885GAA 843/4885
US-11938120-B1 Ethyl 2-substituted-1-(substitutedbenzoyl)-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate derivatives as anti-tubercular agents BET1, RABGGTB, EP300 ALDH1A1 795/4885SMN1; SMN2 4841/4885GAA 854/4885

“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.

Send feedback