SCHEMBL5528337

SCHEMBL5528337

CC(C)(C)c1nc(Cc2ccc(Cl)cc2Cl)c(C(=O)O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
COPS5 Q92905 1/20 0.43
KMT2A Q03164 1/20 0.42
SHMT1 P34896 1/20 0.40
SHMT2 P34897 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4C Q9H3R0 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGFR P43088 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
PTGIR P43119 1/20 0.38
PTGDR Q13258 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
SCHEMBL5525613 0.88 P2RX7 (0.40) NPC1SMN1; SMN2RAB9A
SCHEMBL5520108 0.85 POLB (0.39) NPC1KMT2ASMN1; SMN2KDM4EPOLB
SCHEMBL13494041 0.84 COPS5 (0.45) NPC1COPS5KMT2ASMN1; SMN2HTT
SCHEMBL5522358 0.82 RAB9A (0.51) NPC1COPS5KMT2ASMN1; SMN2KDM4E
SCHEMBL5557330 0.81 COPS5 (0.44) NPC1COPS5KMT2ASMN1; SMN2HTT
SCHEMBL5522175 0.77 SMN1; SMN2 (0.41) NPC1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL5520170 0.77 KMT2A (0.46) NPC1KMT2ASHMT1SHMT2SMN1; SMN2
SCHEMBL5527746 0.76 TSHR (0.41) NPC1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL5520215 0.75 ALDH1A1 (0.41) NPC1SMN1; SMN2ALDH1A1PPARA
SCHEMBL5522126 0.75 PTGDR2 (0.38) COPS5KMT2ASMN1; SMN2HTTKDM4E

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 NPC1 3623/4885COPS5 3399/4885KMT2A 1024/4885

“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.