SCHEMBL5524256

SCHEMBL5524256

CC(C)(C)c1nc(Cc2c(F)cccc2Cl)c(C(=O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 2/20 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
SCHEMBL5520108 0.81 POLB (0.39) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL5525613 0.78 P2RX7 (0.40) RAB9ANPC1SMN1; SMN2
SCHEMBL5521998 0.77 HCAR2 (0.46) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5527532 0.77 SMN1; SMN2 (0.48) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL5524260 0.76 PPARA (0.40) RAB9AMAPTTP53SMN1; SMN2KDM4E
SCHEMBL5522358 0.76 RAB9A (0.51) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL5527609 0.76 CACNA1G (0.38) RAB9ANPC1POLBALDH1A1SMN1; SMN2
SCHEMBL5528337 0.75 NPC1 (0.45) RAB9ANPC1POLBALDH1A1HTT
SCHEMBL5522334 0.74 SMN1; SMN2 (0.39) RAB9ANPC1POLBALDH1A1MEN1
SCHEMBL5520170 0.74 KMT2A (0.46) RAB9ANPC1POLBKMT2ASMN1; SMN2

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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 US disclosed
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 RAB9A 3225/4885NPC1 3623/4885POLB 2/4885

“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.