SCHEMBL3406091

SCHEMBL3406091

CCCCN1CCCN(C(=O)c2sc(-c3cc(F)ccc3OC)nc2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.42
CES2 O00748 1/20 0.41
SLC29A1 Q99808 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
HTR1A P08908 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL3403442 0.91 HTR2C (0.43) HTR2CCES2SLC29A1KDM4EALDH1A1
SCHEMBL13310335 0.91 HTR2C (0.43) HTR2CCES2SLC29A1KDM4EALDH1A1
SCHEMBL3404766 0.90 HTR2C (0.42) HTR2CCES2SLC29A1MAPTKDM4E
SCHEMBL3404961 0.90 HTR2C (0.45) HTR2CCES2ALDH1A1
SCHEMBL3400849 0.90 HTR2C (0.45) HTR2CCES2HTR1AALDH1A1
SCHEMBL3405156 0.88 HTR2C (0.41) HTR2CCES2SLC29A1ALDH1A1LMNA
SCHEMBL3401007 0.88 HTR2C (0.45) HTR2CCES2HTR1AALDH1A1
SCHEMBL3399401 0.88 HTR2C (0.45) HTR2CCES2HTR1AALDH1A1
SCHEMBL3403866 0.87 HTR2C (0.41) HTR2CCES2SLC29A1KDM4EALDH1A1
SCHEMBL3404572 0.86 PDE4A (0.43) HTR2CCES2SLC29A1KDM4EALDH1A1

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 HTR2C 416/4885CES2 1068/4885SLC29A1 807/4885

“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.