SCHEMBL13633551

SCHEMBL13633551

CCOC(=O)c1cc(Br)cc(NS(=O)(=O)c2ccc(C)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 4/20 0.51
▸ NHERF1 O14745 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ USP2 O75604 1/20 0.48
▸ ACR P10323 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HIF1A Q16665 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL13633538 0.84 METAP2 (0.54) ALDH1A1LMNAGAAKMT2ARECQL
SCHEMBL13789387 0.78 KDM4E (0.50) ALDH1A1SMN1; SMN2LMNAGAAKDM4E
SCHEMBL13633458 0.77 KDM4E (0.49) ALDH1A1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL841568 0.75 CYP1A2 (0.61) ALDH1A1SMN1; SMN2GAAKMT2AKDM4E
SCHEMBL1425164 0.71 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AKDM4EMAPT
SCHEMBL3177473 0.71 LMNA (0.58) ALDH1A1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL23200315 0.70 LMNA (0.76) ALDH1A1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL31138238 0.70 LMNA (0.76) ALDH1A1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL13868451 0.70 MAPT (0.47) ALDH1A1SMN1; SMN2LMNAGAAKMT2A
SCHEMBL19787931 0.70 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KMT2AHIF1AKDM4E

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-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS PFIZER INC 2009-11-05 — — US disclosed
US-20070191394-A1 Antibacterial agents WARNER-LAMBERT COMPANY LLC 2007-08-16 — — 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 (2 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-20070191394-A1 Antibacterial agents MRPL21, RPN2, FBL ALDH1A1 637/4885SMN1; SMN2 2248/4885LMNA 2919/4885
US-20090275577-A1 IMIDAZOPYRIDINE AND IMIDAZOPYRIMIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS DPYD, TYMP, ITPA ALDH1A1 272/4885SMN1; SMN2 1846/4885LMNA 3979/4885

“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.

Send feedback