SCHEMBL3404055

SCHEMBL3404055

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CRHR1 P34998 5/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 2/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
HTR2C P28335 3/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
MAPT P10636 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3401729 0.91 RAB9A (0.54) RAB9AGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3403251 0.89 SMN1; SMN2 (0.46) RAB9AGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL3405333 0.85 RAB9A (0.40) RAB9AGAAKDM4ECRHR1ALDH1A1
SCHEMBL3402280 0.85 CDC7 (0.44) RAB9AGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3404948 0.84 SMN1; SMN2 (0.56) RAB9AGAAKDM4ECRHR1ALDH1A1
SCHEMBL13071478 0.84 CDC7 (0.44) RAB9AGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3398655 0.84 TRPM8 (0.47) RAB9AGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL3402129 0.83 HTR2C (0.43) RAB9AGAAKDM4ECRHR1ALDH1A1
SCHEMBL3400511 0.83 NPC1 (0.43) RAB9AGAAKDM4ECRHR1ALDH1A1
SCHEMBL3404502 0.82 CRHR1 (0.40) RAB9AGAAKDM4ECRHR1ALDH1A1

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.