SCHEMBL5522334

SCHEMBL5522334

CC(C)(C)c1nc(Cc2cccc(-c3ccc(F)c(F)c3)c2)c(C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
DHFR P00374 1/20 0.37
SHMT1 P34896 1/20 0.36
SHMT2 P34897 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
GPR52 Q9Y2T5 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
GAA P10253 1/20 0.36
BCL2 P10415 1/20 0.36

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
SCHEMBL5527609 0.88 CACNA1G (0.38) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL5526019 0.87 TRPM8 (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5520170 0.87 KMT2A (0.46) SMN1; SMN2KMT2AKDM4ERAB9ANPC1
SCHEMBL5524844 0.87 CHRM4 (0.39) SMN1; SMN2ALDH1A1DHFRACMSD
SCHEMBL5527759 0.86 DHFR (0.48) SMN1; SMN2ALDH1A1KDM4EDHFRBCL2
SCHEMBL5521998 0.84 HCAR2 (0.46) SMN1; SMN2ALDH1A1RAB9ANPC1GPR52
SCHEMBL5556229 0.84 DHFR (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL5528442 0.81 NR1H4 (0.43) SMN1; SMN2RAB9ADHFR
SCHEMBL5522256 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4ERAB9ANPC1
SCHEMBL5528655 0.80 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A

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 SMN1; SMN2 4646/4885ALDH1A1 2042/4885MEN1 4532/4885

“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.