SCHEMBL2907461

SCHEMBL2907461

C=Cc1ccc(Cl)c([N+](=O)[O-])c1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.37
VCAM1 P19320 1/20 0.36
KDM4A O75164 1/20 0.35
KDM4B O94953 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 1/20 0.35
ARNT P27540 1/20 0.33
EPAS1 Q99814 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL4847750 0.83 TSHR (0.45) TSHRTDP1ALDH1A1HSD17B10VCAM1
SCHEMBL10796832 0.79 GRIN2D (0.39) TSHRTDP1ALDH1A1HSD17B10VCAM1
SCHEMBL1458014 0.78 ALDH1A1 (0.55) TSHRTDP1ALDH1A1MEN1KMT2A
SCHEMBL10980919 0.78 TSHR (0.62) TSHRTDP1ALDH1A1HSD17B10VCAM1
SCHEMBL11858435 0.76 ERN1 (0.39) TSHRALDH1A1MEN1KMT2A
SCHEMBL29702010 0.75 ALDH1A1 (0.56) TSHRTDP1ALDH1A1HSD17B10VCAM1
SCHEMBL7514813 0.75 ALDH1A1 (0.56) TSHRTDP1ALDH1A1HSD17B10VCAM1
SCHEMBL28037942 0.73 TSHR (0.52) TSHRTDP1ALDH1A1HSD17B10VCAM1
SCHEMBL29918148 0.72 TDP1 (0.69) TSHRTDP1ALDH1A1HSD17B10VCAM1
SCHEMBL2145586 0.72 TDP1 (0.69) TSHRTDP1ALDH1A1HSD17B10VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537099-B1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES & DIAGNOSTIC (US) 2010-08-11 EP disclosed
US-7671049-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-03-02 US disclosed
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2007-10-18 US disclosed
US-7250443-B2 Pyrrole based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION (US) 2007-07-31 US disclosed
EP-1537099-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2005-06-08 EP disclosed
US-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2004-04-22 US disclosed
WO-2004018455-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-03-04 WO disclosed
US-4064239-A LIVER FLUKES MERCK & CO., INC. (US) 1977-12-20 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 (2 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-20040077707-A1 Pyrrole based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB TSHR 4317/4885TDP1 339/4885ALDH1A1 3907/4885
US-20070244109-A1 PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 GSK3B, GSK3A, PYGB TSHR 4317/4885TDP1 339/4885ALDH1A1 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.