SCHEMBL3405280

SCHEMBL3405280

Cc1nc(-c2ccccc2Oc2ccccc2)sc1C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.53
HRH3 Q9Y5N1 6/20 0.48
CNR1 P21554 1/20 0.48
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PARP1 P09874 1/20 0.41
CES2 O00748 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3402453 0.89 HTR2C (0.55) HTR2CHRH3CNR1ALDH1A1TSHR
SCHEMBL3399775 0.86 CNR1 (0.58) HTR2CHRH3CNR1ALDH1A1PARP1
SCHEMBL13309912 0.84 HTR2C (0.59) HTR2CHRH3CNR1PARP1CES2
SCHEMBL3401150 0.83 HTR2C (0.53) HTR2CHRH3CNR1ALDH1A1SLC6A4
SCHEMBL3400042 0.83 HTR2C (0.58) HTR2CHRH3CNR1TSHRPARP1
SCHEMBL3402963 0.82 HTR2C (0.57) HTR2CHRH3CNR1PARP1CES2
SCHEMBL3404790 0.82 HTR2C (0.57) HTR2CHRH3CNR1ALDH1A1PARP1
SCHEMBL3401781 0.82 CNR1 (0.70) HTR2CHRH3CNR1ALDH1A1PARP1
SCHEMBL3404951 0.81 HTR2C (0.56) HTR2CHRH3CNR1PARP1CES2
SCHEMBL3398799 0.81 HTR2C (0.78) HTR2CCNR1PARP1CES2

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 416/4885HRH3 1/4885CNR1 35/4885

“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.