SCHEMBL3403580

SCHEMBL3403580

Cc1nc(-c2cc(Cl)cc(Cl)c2)sc1C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.49
KMT2A Q03164 3/20 0.44
HTR2C P28335 5/20 0.43
CHRNA7 P36544 1/20 0.43
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HSP90AA1 P07900 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
PARP1 P09874 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL3404912 0.88 CNR1 (0.51) CNR1HTR2CRAB9AKDM4ESMN1; SMN2
SCHEMBL3406010 0.86 CNR1 (0.49) CNR1HTR2CRAB9AKDM4ETHRA
SCHEMBL3405399 0.86 CNR1 (0.57) CNR1HTR2CRAB9AKDM4ESMN1; SMN2
SCHEMBL3405229 0.85 CNR1 (0.49) CNR1KMT2AHTR2CRAB9AKDM4E
SCHEMBL3399579 0.85 CNR1 (0.47) CNR1KMT2AHTR2CCHRNA7RAB9A
SCHEMBL3405446 0.85 CNR1 (0.47) CNR1KMT2AHTR2CRAB9AKDM4E
SCHEMBL3405550 0.84 CNR1 (0.55) CNR1KMT2AHTR2CRAB9AKDM4E
SCHEMBL3401781 0.83 CNR1 (0.70) CNR1KMT2AHTR2CRAB9ASMN1; SMN2
SCHEMBL3398823 0.83 ALDH1A1 (0.47) CNR1HTR2CRAB9ASMN1; SMN2NPC1
SCHEMBL3398373 0.83 CNR1 (0.49) CNR1KMT2AHTR2CRAB9AKDM4E

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 CNR1 35/4885KMT2A 890/4885HTR2C 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.