SCHEMBL5390877

SCHEMBL5390877

CCCCOc1ccc(CSc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ KCNH2 Q12809 6/20 0.52
▸ LMNA P02545 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46

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
SCHEMBL177876 0.84 MAPT (0.57) MAPTRAB9ANPC1KCNH2LMNA
SCHEMBL2565246 0.84 MAPT (0.67) MAPTRAB9ANPC1KCNH2ALDH1A1
SCHEMBL28070731 0.83 APP (0.60) MAPTRAB9ANPC1KCNH2LMNA
SCHEMBL1240044 0.81 MAPT (0.63) MAPTRAB9ANPC1KCNH2CRHBP
SCHEMBL5049067 0.79 MAPT (0.62) MAPTRAB9ANPC1KCNH2TSHR
SCHEMBL51004 0.79 MAPT (0.62) MAPTRAB9ANPC1KCNH2TSHR
SCHEMBL9232088 0.79 MAPT (0.62) MAPTRAB9ANPC1KCNH2TSHR
SCHEMBL8410318 0.79 MAPT (0.62) MAPTRAB9ANPC1KCNH2TSHR
SCHEMBL1963497 0.79 MAPT (0.62) MAPTRAB9ANPC1KCNH2TSHR
SCHEMBL9308071 0.79 MAPT (0.62) MAPTRAB9ANPC1KCNH2TSHR

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-7262318-B2 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER, INC. (US) 2007-08-28 — — US disclosed
EP-1725524-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS Pfizer Products Incorporated (US) 2006-11-29 — — EP disclosed
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PFIZER INC 2006-11-16 — — US disclosed
US-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PFIZER INC 2005-10-13 — — US disclosed
WO-2005092845-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER PRODUCTS INC. (US) 2005-10-06 — — 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 (2 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-20050228015-A1 Substituted heteroaryl- and phenylsulfamoyl compounds PPARA, PPARG, PPARD MAPT 1786/4885RAB9A 2271/4885NPC1 59/4885
US-20060258723-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARG, PPARA, PPARD MAPT 1984/4885RAB9A 2063/4885NPC1 74/4885

“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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