SCHEMBL3397100

SCHEMBL3397100

CCOc1cccc(-c2nc(C)c(C(=O)N(C)CCN(CC)CC)s2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.46
TRPM8 Q7Z2W7 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NOTUM Q6P988 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
USP2 O75604 1/20 0.39
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39
NPC1 O15118 1/20 0.39
PPARA Q07869 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 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
SCHEMBL3404127 0.92 HTR2C (0.49) HTR2CTRPM8ALDH1A1HPGDKDM4E
SCHEMBL3399991 0.89 HTR2C (0.45) HTR2CTRPM8ALDH1A1HPGDKMT2A
SCHEMBL3401033 0.88 TARBP2 (0.49) HTR2CTRPM8ALDH1A1KDM4EKMT2A
SCHEMBL3404875 0.87 PPARA (0.45) HTR2CTRPM8ALDH1A1HPGDKMT2A
SCHEMBL3399741 0.86 TRPM8 (0.50) HTR2CTRPM8ALDH1A1HPGDKMT2A
SCHEMBL3403618 0.85 TRPM8 (0.48) HTR2CTRPM8ALDH1A1HPGDKMT2A
SCHEMBL3400862 0.85 HTR2C (0.47) HTR2CTRPM8ALDH1A1HPGDKDM4E
SCHEMBL3404304 0.85 KMT2A (0.61) HTR2CTRPM8ALDH1A1HPGDKDM4E
SCHEMBL3398358 0.84 KMT2A (0.48) HTR2CTRPM8ALDH1A1HPGDKMT2A
SCHEMBL3405166 0.83 HTR2C (0.51) HTR2CTRPM8ALDH1A1HPGDKMT2A

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
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
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 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 HTR2C 416/4885TRPM8 455/4885ALDH1A1 916/4885

“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.