SCHEMBL5552980

SCHEMBL5552980

CCc1cc(C(=O)O)nc(N2CCC(N)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
RBP4 P02753 10/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
P2RY12 Q9H244 1/20 0.40
TTR P02766 5/20 0.40
ALDH1A1 P00352 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
MCHR1 Q99705 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
SORD Q00796 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
SCHEMBL5559566 0.87 KDM4E (0.58) RBP4KDM4EHPGDHSD17B10USP2
SCHEMBL5558108 0.85 ALDH1A1 (0.43) RBP4KDM4EHPGDHSD17B10USP2
SCHEMBL5558124 0.83 ALDH1A1 (0.45) RBP4KDM4EHPGDHSD17B10NPSR1
SCHEMBL10266109 0.81 KDM4E (0.49) KDM4EHSD17B10ALDH1A1
SCHEMBL5525363 0.79 HRH4 (0.46) HRH4RBP4KDM4EHPGDHSD17B10
SCHEMBL10266309 0.71 GBA1 (0.44) KDM4EHPGDHSD17B10ALDH1A1SORD
SCHEMBL27680981 0.70 KDM4E (0.60) RBP4KDM4EHPGDHSD17B10USP2
SCHEMBL25312133 0.69 RBP4 (0.80) RBP4TTR
SCHEMBL27681034 0.69 RBP4 (0.56) RBP4KDM4EHPGDHSD17B10USP2
Hydrochloric Acid SCHEMBL3281689 0.69 IKBKB (0.44) HRH4KDM4EP2RY12

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 HRH4 3167/4885RBP4 3571/4885KDM4E 676/4885

“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.