SCHEMBL3404493

SCHEMBL3404493

CCN(CC)CCN(C)C(=O)c1sc(-c2cc(Cl)cc(Cl)c2)nc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR2C P28335 3/20 0.43
CRHR1 P34998 4/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 2/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PPARA Q07869 1/20 0.37

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
SCHEMBL3404304 0.89 KMT2A (0.61) KMT2AMEN1MAPTALDH1A1HTR2C
SCHEMBL3405714 0.88 HTR2C (0.45) KMT2AMEN1MAPTALDH1A1HTR2C
SCHEMBL3399563 0.86 HTR2C (0.43) KMT2AMEN1MAPTALDH1A1HTR2C
SCHEMBL13309741 0.86 RAB9A (0.56) KMT2AMEN1MAPTALDH1A1HTR2C
SCHEMBL3403876 0.85 KMT2A (0.45) KMT2AMEN1MAPTALDH1A1HTR2C
SCHEMBL3396808 0.85 KMT2A (0.45) KMT2AMEN1MAPTALDH1A1HTR2C
SCHEMBL3396821 0.85 HTR2C (0.44) KMT2AMEN1HTR2CCRHR1RAB9A
SCHEMBL3404554 0.84 HTR2C (0.44) KMT2AMEN1MAPTALDH1A1HTR2C
SCHEMBL3398779 0.83 PPARA (0.48) KMT2AMEN1MAPTALDH1A1HTR2C
SCHEMBL3400771 0.83 HTR2C (0.45) KMT2AMEN1MAPTALDH1A1HTR2C

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 KMT2A 890/4885MEN1 1347/4885MAPT 342/4885

“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.