SCHEMBL5254609

SCHEMBL5254609

O=S(=O)(c1c(Cl)nc2sc3ccccc3n12)n1cc(C2CCCNC2)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.62
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR1A P08908 1/20 0.35

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
SCHEMBL5251898 0.90 HTR6 (0.51) HTR6
SCHEMBL5253364 0.85 HTR6 (0.66) HTR6CYP3A4CYP2A6HTR2CHTR7
SCHEMBL5255297 0.80 HTR6 (0.62) HTR6CYP3A4CYP2A6HTR2CHTR7
SCHEMBL5255361 0.77 HTR6 (1.00) HTR6
SCHEMBL5251020 0.75 HTR6 (1.00) HTR6
SCHEMBL5255585 0.73 HTR6 (1.00) HTR6CYP3A4HTR1A
SCHEMBL5254765 0.73 HTR6 (0.49) HTR6
SCHEMBL5738683 0.72 HTR6 (0.67) HTR6CYP3A4CYP2A6HTR2CHTR7
SCHEMBL5255669 0.72 HTR6 (1.00) HTR6HTR1A
SCHEMBL5309054 0.72 HTR6 (0.77) HTR6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355904-B1 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-01 EP claimed
EP-1803720-A1 Heterocyclindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP claimed
US-6903112-B2 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-06-07 US claimed
US-20040092526-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH 2004-05-13 US claimed
US-20020198213-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands AMERICAN HOME PRODUCTS CORPORATION 2002-12-26 US claimed
EP-1355904-B1 HETEROCYCLINDAZOLE AND AZAINDAZOLE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-01 EP disclosed
EP-1803720-A1 Heterocyclindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands Wyeth a Corporation of the State of Delaware (US) 2007-07-04 EP disclosed
US-20050124603-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-06-09 US disclosed
US-6903112-B2 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2005-06-07 US disclosed
US-6767912-B2 SUCH AS 1-(PHENYLSULFONYL)-3-(PIPERIDIN-4-YL)-1H-INDAZOLE; FOR MOOD, MOTOR, OR COGNITIVE DISORDERS INCLUDING SCHIZOPHRENIA, ANXIETY, AND DEPRESSION WYETH 2004-07-27 US disclosed
US-20040092526-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands WYETH 2004-05-13 US disclosed
US-20020198213-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands AMERICAN HOME PRODUCTS CORPORATION 2002-12-26 US 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 (3 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-20040092526-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885CYP3A4 317/4885CYP2A6 132/4885
US-20050124603-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR3B HTR6 1/4885CYP3A4 288/4885CYP2A6 114/4885
US-20020198213-A1 Heterocyclylindazole and -azaindazole compounds as 5-hydroxytryptamine-6 ligands HTR6, HTR5A, HTR1A HTR6 1/4885CYP3A4 317/4885CYP2A6 132/4885

“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.