SCHEMBL13071981

SCHEMBL13071981

CCN(CC)CCN(C)C(=O)c1sc(-c2ccc(Cl)cc2Cl)nc1C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
HTR2C P28335 4/20 0.47
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
CRHR1 P34998 4/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SHMT1 P34896 1/20 0.41
SHMT2 P34897 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
HPGD P15428 1/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3400343 0.92 HTR2C (0.47) MAPTKDM4EHTR2CCRHR1RAB9A
SCHEMBL3405318 0.92 HTR2C (0.47) MAPTKDM4EHTR2CCRHR1RAB9A
SCHEMBL3399781 0.90 HTR2C (0.46) MAPTKDM4EHTR2CCRHR1RAB9A
SCHEMBL3401263 0.87 HTR2C (0.57) MAPTKDM4EHTR2CCDC7DBF4
SCHEMBL3404304 0.83 KMT2A (0.61) MAPTKDM4EHTR2CRAB9AALDH1A1
SCHEMBL3405498 0.83 HTR2C (0.55) MAPTHTR2CCDC7DBF4CRHR1
SCHEMBL3404493 0.82 KMT2A (0.44) MAPTKDM4EHTR2CCRHR1RAB9A
SCHEMBL3405341 0.82 KDM4E (0.51) MAPTKDM4ECDC7DBF4RAB9A
SCHEMBL3403876 0.82 KMT2A (0.45) MAPTKDM4EHTR2CCRHR1RAB9A
SCHEMBL3396808 0.81 KMT2A (0.45) MAPTKDM4EHTR2CCRHR1RAB9A

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 4 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
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 MAPT 342/4885KDM4E 3449/4885HTR2C 416/4885

“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.