SCHEMBL1016824

SCHEMBL1016824

CCCN(OCc1ccc(Br)cc1)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.44
POLB P06746 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAOA P21397 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
IDO1 P14902 2/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL16352131 0.80 MAOB (0.39) MAOBPOLBCTDSP1KDM4EMAPT
SCHEMBL16352155 0.80 MAOB (0.39) MAOBKDM4EMAPTALDH1A1HPGD
SCHEMBL16363813 0.80 MAOB (0.39) MAOBPOLBCTDSP1KDM4EMAPT
SCHEMBL16364155 0.79 FPR2 (0.36) MAOBPOLBCTDSP1KDM4EMAPT
SCHEMBL23616321 0.75 L3MBTL1 (0.49) ALDH1A1
SCHEMBL27078358 0.72 ALOX5 (0.47) ALDH1A1
Beloxamide SCHEMBL636320 0.69 L3MBTL1 (0.49) ALDH1A1SMN1; SMN2
SCHEMBL14588680 0.69 KMT2A (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL23616323 0.69 TP53 (0.49) ALDH1A1
SCHEMBL3124719 0.69 ALDH1A1 (0.64) MAOBKDM4EMAPTALDH1A1HPGD

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-7871982-B2 Lincomycin derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-18 US disclosed
US-20090156512-A1 potent activity against resistant pneumococci MEIJI SEIKA KAISHA, LTD. (JP) 2009-06-18 US disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP 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-20090156512-A1 potent activity against resistant pneumococci H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NPM1 MAOB 3004/4885POLB 2813/4885CTDSP1 1442/4885

“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.