SCHEMBL3404121

SCHEMBL3404121

CCN(CC)CCN(C)C(=O)c1sc(-c2ccc(-c3ccc(OC)cc3)cc2)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.48
HTR2C P28335 2/20 0.47
ALOX5 P09917 1/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MCHR1 Q99705 2/20 0.45
TARBP2 Q15633 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
KMT2A Q03164 3/20 0.43
RAD52 P43351 1/20 0.43
MEN1 O00255 2/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
PTPN11 Q06124 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42

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
SCHEMBL3405160 0.90 HTR2C (0.45) PPARAHTR2CALOX5MAPTALDH1A1
SCHEMBL3401033 0.90 TARBP2 (0.49) PPARAHTR2CMAPTALDH1A1SMN1; SMN2
SCHEMBL13309741 0.89 RAB9A (0.56) PPARAHTR2CMAPTALDH1A1SMN1; SMN2
SCHEMBL3405790 0.88 TARBP2 (0.47) PPARAHTR2CMAPTALDH1A1MCHR1
SCHEMBL3405703 0.88 MCHR1 (0.52) PPARAHTR2CMAPTALDH1A1SMN1; SMN2
SCHEMBL3405467 0.87 TRPM8 (0.47) PPARAHTR2CMAPTALDH1A1SMN1; SMN2
SCHEMBL3404118 0.87 PPARA (0.57) PPARAHTR2CMAPTALDH1A1TARBP2
SCHEMBL3400834 0.86 TRPM8 (0.46) PPARAHTR2CMAPTALDH1A1SMN1; SMN2
SCHEMBL3404127 0.86 HTR2C (0.49) HTR2CMAPTALDH1A1SMN1; SMN2TRPM8
SCHEMBL3405734 0.86 PPARD (0.46) PPARAHTR2CMAPTALDH1A1SMN1; SMN2

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 PPARA 492/4885HTR2C 416/4885ALOX5 4223/4885

“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.