SCHEMBL3754532

SCHEMBL3754532

CC(C)CCc1cc(C(=O)Nc2nccs2)n(Cc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPC1 O15118 4/20 0.50
MAPT P10636 4/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.50
RAB9A P51151 3/20 0.50
MGAM O43451 2/20 0.50
SI P14410 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
LMNA P02545 5/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.43
RECQL P46063 2/20 0.42
POLB P06746 1/20 0.42
STAT1 P42224 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 3/20 0.42
ADORA2A P29274 1/20 0.42

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
SCHEMBL2662198 0.92 MEN1 (0.51) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL15104346 0.86 NPC1 (0.44) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL3756292 0.83 ALDH1A1 (0.52) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL2661512 0.82 LMNA (0.53) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL2662339 0.80 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3753634 0.79 ADORA2A (0.49) MEN1KMT2ANPC1ALDH1A1GAA
SCHEMBL15104239 0.78 NPC1 (0.45) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL2660928 0.77 MEN1 (0.48) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL2661689 0.77 MEN1 (0.49) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL2662194 0.75 PIK3C2A (0.43) MEN1KMT2ANPC1MAPTALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155720-B1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2013-07-17 EP claimed
US-8299115-B2 Pyrrole-2-carboxamide derivatives as glucokinase activators, their process and pharmaceutical application ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2012-10-30 US claimed
US-20100292143-A1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2010-11-18 US claimed
EP-2155720-B1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2013-07-17 EP 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-20100292143-A1 PYRROLE-2-CARBOXAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND PHARMACEUTICAL APPLICATION GCK, PCK1, GCKR MEN1 4123/4885KMT2A 1673/4885NPC1 3612/4885

“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.