SCHEMBL3404718

SCHEMBL3404718

CCN(C)CCN(CC)C(=O)c1sc(-c2cccc(Cl)c2)nc1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
TRPM8 Q7Z2W7 2/20 0.51
CRHR1 P34998 3/20 0.44
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR1 O14842 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL3403251 0.89 SMN1; SMN2 (0.46) KMT2ATRPM8ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3401041 0.88 TRPM8 (0.53) KMT2ATRPM8ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3404948 0.87 SMN1; SMN2 (0.56) KMT2ATRPM8CRHR1ALDH1A1SMN1; SMN2
SCHEMBL3402204 0.86 KMT2A (0.42) KMT2ATRPM8CRHR1ALDH1A1SMN1; SMN2
SCHEMBL3399358 0.86 ALDH1A1 (0.43) KMT2ATRPM8ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3403592 0.85 ALDH1A1 (0.42) KMT2ATRPM8ALDH1A1SMN1; SMN2RAB9A
SCHEMBL3402129 0.84 HTR2C (0.43) KMT2ATRPM8CRHR1ALDH1A1SMN1; SMN2
SCHEMBL3405333 0.84 RAB9A (0.40) KMT2ATRPM8CRHR1ALDH1A1SMN1; SMN2
SCHEMBL3404502 0.83 CRHR1 (0.40) KMT2ATRPM8CRHR1ALDH1A1SMN1; SMN2
SCHEMBL3404329 0.83 CRHR1 (0.44) KMT2ACRHR1ALDH1A1SMN1; SMN2RAB9A

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 890/4885TRPM8 455/4885CRHR1 341/4885

“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.