SCHEMBL4088583

SCHEMBL4088583

[CH2]c1ccccc1C(=O)CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
ALOX15 P16050 1/20 0.42
KDM4E B2RXH2 4/20 0.37
HPGD P15428 2/20 0.37
HMGB1 P09429 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA9 Q16790 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
CA14 Q9ULX7 1/20 0.37
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HDAC8 Q9BY41 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL27533876 0.84 ALDH1A1 (0.46) ALDH1A1ALOX15KDM4EHPGDHMGB1
SCHEMBL7820247 0.80 ALDH1A1 (0.64) ALDH1A1ALOX15KDM4EHPGDHMGB1
SCHEMBL28193157 0.79 KDM4E (0.41) ALDH1A1ALOX15KDM4EHPGDHMGB1
SCHEMBL7220374 0.78 L3MBTL1 (0.44) ALDH1A1ALOX15KDM4EHPGDHMGB1
SCHEMBL142530 0.77 ALDH1A1 (0.65) ALDH1A1ALOX15KDM4EHPGDHMGB1
SCHEMBL10572853 0.76 MAPT (0.52) ALDH1A1ALOX15KDM4EHPGDSMN1; SMN2
SCHEMBL4014026 0.76 KDM4E (0.58) ALDH1A1KDM4EHPGDHMGB1CA12
SCHEMBL3244289 0.75 USP2 (0.51) ALDH1A1ALOX15KDM4ESMN1; SMN2MAPT
SCHEMBL7221153 0.75 HPGD (0.47) ALDH1A1ALOX15KDM4EHPGDSMN1; SMN2
SCHEMBL526049 0.75 ALDH1A1 (0.56) ALDH1A1ALOX15KDM4EHPGDMAPT

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-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST ALDH1A1 3748/4885ALOX15 1208/4885KDM4E 1890/4885

“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.