SCHEMBL3398914

SCHEMBL3398914

Cc1ccc(-c2ncc(CO)[nH]2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.33
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
PLAU P00749 1/20 0.33
POLB P06746 1/20 0.33
PDE10A Q9Y233 3/20 0.32
SLC6A3 Q01959 1/20 0.32
DGAT1 O75907 1/20 0.32
SLC6A2 P23975 1/20 0.32
CYP2A6 P11509 1/20 0.31

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
SCHEMBL3405782 0.73 DRD4 (0.46) KDM4E
SCHEMBL5549468 0.73 ALDH1A1 (0.42) ALDH1A1KDM4E
SCHEMBL9473675 0.73 KDM4E (0.42) CYP1A2ALDH1A1KDM4EHPGDPOLB
SCHEMBL3081394 0.72 NPY5R (0.55) PDE10A
SCHEMBL16580212 0.66 CYP1A2 (0.46) CYP1A2KDM4EPLAUCYP2A6
SCHEMBL7937231 0.65 CYP1A2 (0.81) CYP1A2ALDH1A1KDM4EHTTTSHR
SCHEMBL29352205 0.65 CYP1A2 (0.81) CYP1A2ALDH1A1KDM4EHTTTSHR
SCHEMBL21929971 0.65 CYP1A2 (0.81) CYP1A2ALDH1A1KDM4EHTTTSHR
SCHEMBL21930041 0.65 CYP1A2 (0.81) CYP1A2ALDH1A1KDM4EHTTTSHR
SCHEMBL14334074 0.65 HRH1 (0.39)

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 10 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-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 CYP1A2 1326/4885ALDH1A1 916/4885KDM4E 3449/4885

“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.