SCHEMBL5520170

SCHEMBL5520170

CC(C)(C)c1nc(Cc2cccc(-c3cccc(Cl)c3)c2)c(C(=O)O)s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
SHMT1 P34896 2/20 0.40
AOC3 Q16853 1/20 0.40
SHMT2 P34897 1/20 0.40
TRPV1 Q8NER1 4/20 0.39
AVPR1B P47901 1/20 0.39
PDE5A O76074 2/20 0.39
DHFR P00374 1/20 0.39

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
SCHEMBL5527759 0.88 DHFR (0.48) SMN1; SMN2KDM4EDHFR
SCHEMBL5522334 0.87 SMN1; SMN2 (0.39) KMT2ASMN1; SMN2NPC1POLBRAB9A
SCHEMBL13494037 0.85 KMT2A (0.51) KMT2ATRPM8SMN1; SMN2NPC1POLB
SCHEMBL5551873 0.83 KMT2A (0.46) KMT2ATRPM8SMN1; SMN2NPC1POLB
SCHEMBL5528442 0.82 NR1H4 (0.43) SMN1; SMN2RAB9ADHFR
SCHEMBL5524844 0.82 CHRM4 (0.39) SMN1; SMN2DHFR
SCHEMBL5527532 0.82 SMN1; SMN2 (0.48) KMT2ASMN1; SMN2NPC1POLBRAB9A
SCHEMBL5522180 0.81 HCAR2 (0.46) KMT2ASMN1; SMN2RAB9AKDM4EHCAR2
SCHEMBL5521998 0.81 HCAR2 (0.46) TRPM8SMN1; SMN2NPC1RAB9AHCAR2
SCHEMBL5522358 0.81 RAB9A (0.51) KMT2ASMN1; SMN2NPC1POLBRAB9A

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 KMT2A 1024/4885TRPM8 3522/4885SMN1; SMN2 4646/4885

“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.