SCHEMBL3402191

SCHEMBL3402191

CCN1CCN(C(=O)c2sc(-c3cc(Cl)ccc3OC)nc2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
MCHR1 Q99705 1/20 0.45
HTR2C P28335 6/20 0.45
ALPL P05186 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CES2 O00748 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL3400265 0.90 HTR2C (0.46) HTR2CALDH1A1MAPK1KMT2AKDM4E
SCHEMBL3400793 0.88 ALPL (0.49) TP53MAPTHTR2CALPLALDH1A1
SCHEMBL3404766 0.88 HTR2C (0.42) MAPTHTR2CALDH1A1MAPK1LMNA
SCHEMBL3399364 0.86 HTR2C (0.45) MAPTHTR2CALDH1A1KMT2AKDM4E
SCHEMBL3405668 0.84 HTR2C (0.44) MAPTHTR2CALDH1A1MAPK1LMNA
SCHEMBL3402441 0.84 NPC1 (0.47) MAPTHTR2CALDH1A1KDM4EHPGD
SCHEMBL3401600 0.81 HRH3 (0.48) MAPTHTR2CALDH1A1LMNAKMT2A
SCHEMBL3405106 0.81 HRH3 (0.48) MAPTHTR2CALDH1A1LMNAKMT2A
SCHEMBL3404372 0.81 HTR2C (0.41) HTR2CKMT2AMEN1NPC1RAB9A
SCHEMBL13310335 0.78 HTR2C (0.43) HTR2CALDH1A1MAPK1KMT2AKDM4E

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 TP53 4109/4885MAPT 342/4885MCHR1 366/4885

“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.