SCHEMBL7585371

SCHEMBL7585371

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
L3MBTL4 Q8NA19 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
GAA P10253 3/20 0.47
FKBP1A P62942 2/20 0.47
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42

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
SCHEMBL2157261 0.84 GAA (0.64) ALDH1A1MEN1KMT2AGAAFKBP1A
SCHEMBL7589116 0.83 ALDH1A1 (0.92) ALDH1A1HSD17B10L3MBTL1L3MBTL4L3MBTL3
SCHEMBL7588046 0.81 ALDH1A1 (0.71) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL7946476 0.81 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL3456792 0.78 ALDH1A1 (0.58) ALDH1A1HSD17B10MEN1KMT2AL3MBTL1
SCHEMBL18706645 0.78 ALDH1A1 (0.59) ALDH1A1HSD17B10L3MBTL1L3MBTL4L3MBTL3
SCHEMBL7946464 0.78 FKBP1A (0.50) ALDH1A1HSD17B10MEN1KMT2ATSHR
SCHEMBL18706643 0.78 ALDH1A1 (0.59) ALDH1A1HSD17B10L3MBTL1L3MBTL4L3MBTL3
SCHEMBL95898 0.77 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL13468136 0.77 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AFKBP1AHPGD

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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them MIGNANI SERGE (FR) 2002-01-17 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-20020006380-A1 Pyrrole derivatives, their preparation and pharmaceutical compositions containing them TNF, IL2, ZC3HAV1 ALDH1A1 1762/4885HSD17B10 569/4885MEN1 4597/4885

“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.