SCHEMBL3402129

SCHEMBL3402129

CCN(C)CCN(CC)C(=O)c1sc(-c2ccc3ccccc3c2)nc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 3/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
ATM Q13315 1/20 0.38
CRHR1 P34998 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3405333 0.87 RAB9A (0.40) HTR2CSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL3403251 0.86 SMN1; SMN2 (0.46) HTR2CSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL3401729 0.85 RAB9A (0.54) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL3403795 0.85 NPC1 (0.47) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL3402204 0.85 KMT2A (0.42) HTR2CSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL3402280 0.84 CDC7 (0.44) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL3404502 0.84 CRHR1 (0.40) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL3401041 0.84 TRPM8 (0.53) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A
SCHEMBL3404718 0.84 KMT2A (0.60) HTR2CSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL3400809 0.84 TRPM8 (0.39) SMN1; SMN2ALDH1A1RAB9ANPC1KMT2A

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 416/4885SMN1; SMN2 1605/4885ALDH1A1 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.