SCHEMBL3401141

SCHEMBL3401141

Cc1nc(-c2cccc3c2oc2ccccc23)sc1C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.57
CNR1 P21554 1/20 0.46
CES2 O00748 1/20 0.44
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PRKDC P78527 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 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
SCHEMBL3398799 0.85 HTR2C (0.78) HTR2CCNR1CES2PARP1
SCHEMBL3399581 0.84 HTR2C (0.56) HTR2CCNR1CES2PARP1ALDH1A1
SCHEMBL3402402 0.82 HTR2C (0.60) HTR2CCNR1CES2LMNA
SCHEMBL3403316 0.82 HTR2C (0.60) HTR2CCNR1CES2LMNA
SCHEMBL13309912 0.82 HTR2C (0.59) HTR2CCNR1CES2PARP1LMNA
SCHEMBL13071983 0.82 HTR2C (0.77) HTR2CCNR1CES2PARP1
SCHEMBL3400477 0.81 HTR2C (0.56) HTR2CCNR1CES2
SCHEMBL3405384 0.81 HTR2C (0.62) HTR2CCNR1CES2PARP1
SCHEMBL3406154 0.81 HTR2C (0.54) HTR2CCNR1CES2PARP1ALDH1A1
SCHEMBL3400042 0.81 HTR2C (0.58) HTR2CCNR1CES2PARP1LMNA

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 416/4885CNR1 35/4885CES2 1068/4885

“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.