SCHEMBL3533763

SCHEMBL3533763

NCCOc1cccc2cn[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 2/20 0.53
▸ KDM4E B2RXH2 3/20 0.48
▸ NOS1 P29475 3/20 0.47
▸ RET P07949 2/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ AURKA O14965 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ CSF1R P07333 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ PDGFRA P16234 1/20 0.45
▸ LTK P29376 1/20 0.45
▸ KDR P35968 1/20 0.45
▸ MAP2K2 P36507 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ CSNK1A1 P48729 1/20 0.45
▸ PRKX P51817 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ MAP2K1 Q02750 1/20 0.45

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
SCHEMBL30402472 0.83 NOS1 (0.51) HTR1BKDM4ENOS1RETPLK4
SCHEMBL24210984 0.83 NOS1 (0.51) HTR1BKDM4ENOS1RETPLK4
SCHEMBL17261988 0.83 NOS1 (0.51) KDM4ENOS1RETPLK4CHEK1
SCHEMBL27236463 0.81 NOS1 (0.45) KDM4ENOS1RETPLK4CHEK1
SCHEMBL29521081 0.77 PLK4 (0.50) KDM4ENOS1RETPLK4CHEK1
SCHEMBL8487961 0.75 DRD2 (0.59) HTR1BKDM4ENOS1TP53MAPK1
SCHEMBL29520998 0.75 PLK4 (0.48) HTR1BNOS1RETPLK4CHEK1
SCHEMBL5483794 0.73 HPGD (0.62) KDM4ENOS1RETPLK4CHEK1
SCHEMBL23653921 0.72 NOS1 (0.53) KDM4ENOS1RETPLK4CHEK1
SCHEMBL29814293 0.71 NOS1 (0.49) KDM4ENOS1RETPLK4CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 — — US disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 — — EP disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 — — WO disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 — — 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 (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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A HTR1B 6/4885KDM4E 3348/4885NOS1 705/4885

“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.

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