SCHEMBL5558124

SCHEMBL5558124

CCc1cc(C(=O)O)nc(N2CCCCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 2/20 0.41
RBP4 P02753 3/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
SORD Q00796 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 1/20 0.38
GBA1 P04062 3/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5558108 0.98 ALDH1A1 (0.43) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL10266109 0.86 KDM4E (0.49) ALDH1A1KDM4EHSD17B10LMNAPOLB
SCHEMBL10266309 0.84 GBA1 (0.44) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL5552980 0.83 HRH4 (0.46) ALDH1A1KDM4EHPGDHSD17B10RBP4
SCHEMBL5559566 0.83 KDM4E (0.58) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL5216228 0.80 RBP4 (0.57) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL1179851 0.78 RBP4 (0.59) ALDH1A1KDM4EHPGDHSD17B10RBP4
SCHEMBL5524235 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL24394745 0.75 HTR1A (0.40) CASP1HSD17B10SORDNPSR1LMNA
SCHEMBL2186522 0.75 ALDH1A1 (0.53) ALDH1A1KDM4EGAAHPGDTSHR

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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 ALDH1A1 2042/4885KDM4E 676/4885GAA 351/4885

“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.