SCHEMBL4075582

SCHEMBL4075582

O=S(=O)(c1ccc2cc(Cl)ccc2n1)c1ccccc1CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ NHERF1 O14745 1/20 0.36
▸ PRNP P04156 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ PTGES O14684 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ AKR1B1 P15121 2/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL4068488 0.76 ALOX5AP (0.42) CYP2D6
SCHEMBL4434908 0.70 CYP2D6 (0.56) CYP2D6PTGESHTR6TDP1CA12
SCHEMBL28446740 0.69 HSP90AA1 (0.46) HTR6HTTSMN1; SMN2AKR1B1
SCHEMBL4066225 0.68 SLC6A4 (0.47) NHERF1PRNPTDP1CYP2A6
SCHEMBL5262688 0.68 ACP1 (0.39) CYP2D6FAAHHTTSMN1; SMN2CYP1A2
SCHEMBL11683029 0.67 MAPT (0.45) HTTSMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL7831278 0.66 CYP2D6 (0.57) CYP2D6AKR1B1LMNA
SCHEMBL7808149 0.66 HDAC1 (0.49) FAAHTDP1HDAC1HDAC2CYP2A6
SCHEMBL11282482 0.66 AKR1B1 (0.47) HTR6HTTSMN1; SMN2AKR1B1LMNA
SCHEMBL7017610 0.65 KMO (0.42) FAAHHDAC1HDAC2

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-7592456-B2 Arylsulfonylnaphthalene derivatives as 5HT2A antagonists MERCK SHARP & DOHME LIMITED (GB) 2009-09-22 — — US disclosed
EP-1824817-B1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME (GB) 2009-02-04 — — EP disclosed
US-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists MERCK SHARPE & DOHME LIMITED (GB) 2007-12-06 — — US disclosed
EP-1824817-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2007-08-29 — — EP disclosed
WO-2006059149-A1 ARYLSULFONYLNAPHTHALENE DERIVATIVES AS 5HT2A ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2006-06-08 — — 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-20070281952-A1 Arylsulfonylnaphthalene Derivatives As 5Ht2a Antagonists HTR2A, HTR2C, HTR1A CYP2D6 74/4885PDK1 4547/4885NHERF1 1978/4885

“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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