SCHEMBL3403787

SCHEMBL3403787

Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCCCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 6/20 0.50
PPARD Q03181 1/20 0.49
PPARA Q07869 1/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
CHRM4 P08173 1/20 0.47
DRD2 P14416 4/20 0.47
PDE2A O00408 1/20 0.47
PDE10A Q9Y233 1/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
DRD3 P35462 2/20 0.45
DRD4 P21917 1/20 0.45
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL3402982 0.97 SMYD2 (0.53) SMYD2PPARDPPARAMAPTSMN1; SMN2
SCHEMBL3402762 0.93 NPC1 (0.53) SMYD2PPARDPPARAMAPTSMN1; SMN2
SCHEMBL3396859 0.92 DRD2 (0.51) SMYD2DRD2GAADRD3DRD4
SCHEMBL3401416 0.92 NPC1 (0.53) SMYD2PPARDPPARAMAPTSMN1; SMN2
SCHEMBL3402107 0.89 DRD2 (0.47) SMYD2MAPTALDH1A1CHRM4DRD2
SCHEMBL3403541 0.89 DPP4 (0.48) MAPTALDH1A1CHRM4DRD2GAA
SCHEMBL3405123 0.87 HTR3A (0.55) SMYD2DRD2DRD3DRD4ADRA1D
SCHEMBL3404056 0.87 PPARD (0.52) SMYD2PPARDPPARAMAPTSMN1; SMN2
SCHEMBL3400465 0.87 SMYD2 (0.47) SMYD2NPC1CHRM4DRD2GAA
SCHEMBL3399569 0.85 MAPK1 (0.49) SMYD2MAPTSMN1; SMN2ALDH1A1CHRM4

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 SMYD2 3691/4885PPARD 526/4885PPARA 492/4885

“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.