SCHEMBL3401729

SCHEMBL3401729

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.54
GAA P10253 4/20 0.54
KDM4E B2RXH2 2/20 0.54
TRPM8 Q7Z2W7 2/20 0.45
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.43
HPGD P15428 2/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
PPARA Q07869 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
SCHEMBL3402280 0.92 CDC7 (0.44) RAB9AGAAKDM4ETRPM8MAPT
SCHEMBL3398655 0.91 TRPM8 (0.47) RAB9AGAAKDM4ETRPM8MAPT
SCHEMBL3404948 0.91 SMN1; SMN2 (0.56) RAB9AGAAKDM4ETRPM8MAPT
SCHEMBL13071478 0.91 CDC7 (0.44) RAB9AGAAKDM4ETRPM8MAPT
SCHEMBL3404055 0.91 RAB9A (0.42) RAB9AGAAKDM4ETRPM8MAPT
SCHEMBL3400511 0.90 NPC1 (0.43) RAB9AGAAKDM4ETRPM8MAPT
SCHEMBL3403051 0.89 SMN1; SMN2 (0.43) RAB9AGAAKDM4ETRPM8MAPT
SCHEMBL3404918 0.89 MAPT (0.50) RAB9AGAAKDM4EMAPTALDH1A1
SCHEMBL3405629 0.89 CRHR1 (0.43) RAB9AGAAKDM4ETRPM8MAPT
SCHEMBL3405333 0.87 RAB9A (0.40) RAB9AGAAKDM4ETRPM8MAPT

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 RAB9A 2102/4885GAA 1659/4885KDM4E 3449/4885

“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.