SCHEMBL3399788

SCHEMBL3399788

Cc1nc(-c2cc(Cl)ccc2Cl)sc1C(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.47
CHRNA7 P36544 1/20 0.45
CNR1 P21554 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH3 Q9Y5N1 4/20 0.40
CES2 O00748 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3400831 0.92 HTR2C (0.47) HTR2CCHRNA7CNR1ALDH1A1KDM4E
SCHEMBL3404163 0.89 HTR2C (0.47) HTR2CCHRNA7CNR1ALDH1A1KDM4E
SCHEMBL3399364 0.88 HTR2C (0.45) HTR2CCHRNA7CNR1ALDH1A1KDM4E
SCHEMBL3396826 0.88 HTR2C (0.46) HTR2CCHRNA7CNR1ALDH1A1KDM4E
SCHEMBL3401061 0.87 RORC (0.47) HTR2CCNR1ALDH1A1MAPTHRH3
SCHEMBL3404790 0.87 HTR2C (0.57) HTR2CCHRNA7CNR1ALDH1A1MAPT
SCHEMBL3400793 0.85 ALPL (0.49) HTR2CCNR1ALDH1A1KDM4ELMNA
SCHEMBL3405229 0.84 CNR1 (0.49) HTR2CCNR1KDM4EKMT2AHRH3
SCHEMBL3405898 0.83 HTR2C (0.55) HTR2CCNR1ALDH1A1KDM4EMEN1
SCHEMBL3405168 0.82 HTR2C (0.46) HTR2CCNR1ALDH1A1KDM4ELMNA

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 416/4885CHRNA7 124/4885CNR1 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.