SCHEMBL3401606

SCHEMBL3401606

CCn1cc(C(=O)O)nc1-c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
FDPS P14324 1/20 0.42
MCL1 Q07820 2/20 0.42
BAD Q92934 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.40
HTR2C P28335 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CA2 P00918 1/20 0.39
LDHA P00338 1/20 0.39
CNR2 P34972 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL3401425 0.86 TDP1 (0.50) KDM4EALDH1A1KMT2ATDP1
SCHEMBL19365972 0.82 KMT2A (0.44) KDM4EALDH1A1MEN1KMT2ABRD4
SCHEMBL3399942 0.78 HTR2C (0.42) HTR2C
SCHEMBL3399414 0.77 KDM4E (0.41) KDM4EALDH1A1HPGDKMT2AHTR2C
SCHEMBL3404326 0.77 TLR8 (0.39) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3402067 0.76 MEN1 (0.44) KDM4EALDH1A1MEN1KMT2AHTR2C
SCHEMBL3404715 0.76 GAA (0.46) KDM4EALDH1A1HTR2C
SCHEMBL3399820 0.76 HTR2C (0.44) KDM4EALDH1A1MEN1KMT2AHTR2C
SCHEMBL3402974 0.72 KDM4E (0.48) KDM4EALDH1A1HPGDFDPSMCL1
SCHEMBL14545925 0.71 ALDH1A1 (0.44) KDM4EALDH1A1HPGDFDPSMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
EP-1848428-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-10-31 EP disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed
WO-2006089076-A2 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2006-08-24 WO 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-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 KDM4E 3449/4885ALDH1A1 916/4885HPGD 1057/4885

“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.