SCHEMBL3260482

SCHEMBL3260482

Cc1c(C(=O)O)ccn1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 1.00
COMT P21964 1/20 0.56
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MYC P01106 3/20 0.44
ALOX15 P16050 1/20 0.43
HTT P42858 1/20 0.42
NR4A1 P22736 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL16220557 0.87 NOTUM (0.77) NOTUMCOMTALDH1A1KDM4EMEN1
SCHEMBL23382307 0.84 NOTUM (0.72) NOTUMCOMTALDH1A1KDM4EKMT2A
SCHEMBL28931676 0.81 NOTUM (0.68) NOTUMALDH1A1KDM4EMEN1KMT2A
SCHEMBL18355798 0.81 NOTUM (0.68) NOTUMCOMTALDH1A1KDM4EMEN1
SCHEMBL2883370 0.80 NOTUM (0.66) NOTUMCOMTALDH1A1KDM4E
SCHEMBL3491610 0.79 NOTUM (0.64) NOTUMALDH1A1KDM4EKMT2AALOX15
SCHEMBL11453643 0.78 NOTUM (0.65) NOTUMCOMTALDH1A1KDM4EALOX15
SCHEMBL3264191 0.77 NOTUM (0.62) NOTUMCOMTALDH1A1KDM4EMEN1
SCHEMBL11626746 0.77 COMT (0.65) NOTUMCOMTALDH1A1KDM4EMEN1
SCHEMBL3491824 0.76 NOTUM (0.61) NOTUMCOMTALDH1A1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
EP-2016078-A2 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN, INC. (US) 2009-01-21 EP disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
WO-2007115315-A2 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN, INC. (US) 2007-10-11 WO disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 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-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB NOTUM 731/4885COMT 1366/4885ALDH1A1 3907/4885

“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.