SCHEMBL3402974

SCHEMBL3402974

CCn1c(C(=O)O)cnc1-c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
FDPS P14324 2/20 0.42
NTRK1 P04629 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TGFBR1 P36897 1/20 0.40
HTR2C P28335 2/20 0.39
MCL1 Q07820 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
LMNA P02545 1/20 0.38
CDC7 O00311 1/20 0.38
EEF2K O00418 1/20 0.38
DAPK3 O43293 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
RPS6KB1 P23443 1/20 0.38
MARK3 P27448 1/20 0.38

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
SCHEMBL3402302 0.86 CDC25B (0.46) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3400970 0.79 PARP1 (0.42) HTR2CLMNA
SCHEMBL3403662 0.77 ACACB (0.44) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3402312 0.77 HTR2C (0.43) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL3401099 0.77 GAA (0.43) KDM4EALDH1A1MEN1KMT2AHTR2C
SCHEMBL14545925 0.75 ALDH1A1 (0.44) KDM4EALDH1A1HPGDFDPSMEN1
SCHEMBL3403551 0.75 KDM4E (0.44) KDM4EALDH1A1HPGDFDPSMEN1
SCHEMBL3401606 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDFDPSMEN1
SCHEMBL3405737 0.69 MAPK1 (0.59) KDM4EALDH1A1HPGDKMT2AHTR2C
SCHEMBL3400011 0.69 ALDH1A1 (0.50) KDM4EALDH1A1HPGDKMT2ALMNA

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-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
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.