SCHEMBL4748429

SCHEMBL4748429

Cc1ccc(-c2cc(=O)[nH]c(C)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.72
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
XDH P47989 6/20 0.47
RAD51 Q06609 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL4643669 0.85 GSK3B (0.72) GSK3BMEN1KMT2AXDHSMN1; SMN2
SCHEMBL5377975 0.84 GSK3B (1.00) GSK3BXDHSMN1; SMN2
SCHEMBL28132422 0.78 GSK3B (0.70) GSK3BMEN1LMNAKMT2AXDH
SCHEMBL5380569 0.77 GSK3B (0.73) GSK3BKMT2ASMN1; SMN2GAAKDM4E
SCHEMBL10684112 0.77 ADORA2A (0.61) GSK3BMEN1KMT2AXDHKDM4E
SCHEMBL5400045 0.76 GSK3B (0.69) GSK3BKMT2AXDHSMN1; SMN2KDM4E
SCHEMBL18097860 0.74 PDE2A (0.47) GSK3B
SCHEMBL12264964 0.71 MEN1 (0.55) MEN1LMNAKMT2ARAD51SMN1; SMN2
SCHEMBL13231715 0.71 MEN1 (0.61) MEN1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL5386996 0.71 GSK3B (0.78) GSK3BMEN1KMT2AXDHSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S GSK3B 85/4885MEN1 1470/4885LMNA 1220/4885

“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.