SCHEMBL7589116

SCHEMBL7589116

O=C(O)C1CCCCN1C(=O)c1cncc(Br)c1

nearest known ligand 0.92

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.92
L3MBTL1 Q9Y468 3/20 0.56
L3MBTL4 Q8NA19 1/20 0.56
L3MBTL3 Q96JM7 1/20 0.56
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA2 P00918 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
GAA P10253 1/20 0.44
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL7588046 0.87 ALDH1A1 (0.71) ALDH1A1L3MBTL1L3MBTL4L3MBTL3POLB
SCHEMBL7585371 0.83 ALDH1A1 (0.65) ALDH1A1L3MBTL1L3MBTL4L3MBTL3SMN1; SMN2
SCHEMBL7592715 0.80 ALDH1A1 (0.61) ALDH1A1L3MBTL1TDP1HTTCA2
SCHEMBL18706643 0.79 ALDH1A1 (0.59) ALDH1A1L3MBTL1L3MBTL4L3MBTL3SMN1; SMN2
SCHEMBL18706645 0.79 ALDH1A1 (0.59) ALDH1A1L3MBTL1L3MBTL4L3MBTL3SMN1; SMN2
SCHEMBL5909274 0.78 ALDH1A1 (0.70) ALDH1A1L3MBTL1L3MBTL4L3MBTL3POLB
SCHEMBL21696815 0.77 ALDH1A1 (0.56) ALDH1A1L3MBTL1L3MBTL4L3MBTL3POLB
SCHEMBL7960313 0.76 TDP1 (0.61) ALDH1A1L3MBTL1TDP1HPGDCA2
SCHEMBL2226530 0.76 ALDH1A1 (0.66) ALDH1A1L3MBTL1CA2
SCHEMBL4893223 0.76 ALDH1A1 (0.66) ALDH1A1L3MBTL1CA2

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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 US disclosed
EP-1086100-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-03-28 EP disclosed
WO-1999064419-A1 PYRROLE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 1999-12-16 WO 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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them TNF, IL2, ZC3HAV1 ALDH1A1 1762/4885L3MBTL1 3602/4885L3MBTL4 3406/4885

“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.