SCHEMBL1250099

SCHEMBL1250099

COc1ccc(OC)c(S(=O)(=O)n2cnc3c(N4CCNCC4)cccc32)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.57
▸ KMT2A Q03164 3/20 0.55
▸ ALDH1A1 P00352 5/20 0.53
▸ TSHR P16473 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ RECQL P46063 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MCOLN3 Q8TDD5 1/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 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
SCHEMBL1247273 0.90 NPC1 (0.51) HTR6KMT2AALDH1A1TSHRUSP2
SCHEMBL1246458 0.90 ALDH1A1 (0.59) HTR6ALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL1249569 0.90 HTR6 (0.49) HTR6KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL1249743 0.88 HTR6 (0.52) HTR6LMNAPOLBMAPT
SCHEMBL3618954 0.86 KMT2A (0.54) HTR6KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL1249599 0.85 HTR6 (0.77) HTR6TSHRLMNA
SCHEMBL1249760 0.85 HTR6 (0.62) HTR6ALDH1A1TSHRLMNAHTT
SCHEMBL1248630 0.85 HTR6 (0.50) HTR6LMNAPOLBMAPTMCOLN3
SCHEMBL1250135 0.84 POLB (0.61) HTR6KMT2AALDH1A1SMN1; SMN2GAA
SCHEMBL4322677 0.82 HTR6 (0.60) HTR6KMT2AALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2285784-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth LLC (US) 2011-02-23 — — EP claimed
WO-2010056644-A1 1- (ARYLSULFONYL) -4- (PI PERAZIN-I -YL) -IH-BENZ IMIDAZOLES AS δ-HYDROXYTRYPTAMINE- 6 LIGANDS WYETH LLC (US) 2010-05-20 — — WO claimed
US-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2010-05-13 — — US claimed
US-8063053-B2 1-(arylsulfonyl)-4-(piperazin-1-yl)-1H-benzimidazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-11-22 — — US disclosed
US-8063053-B2 1-(arylsulfonyl)-4-(piperazin-1-yl)-1H-benzimidazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-11-22 — — US disclosed
US-8063053-B2 1-(arylsulfonyl)-4-(piperazin-1-yl)-1H-benzimidazoles as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2011-11-22 — — US disclosed
EP-2285784-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth LLC (US) 2011-02-23 — — EP disclosed
WO-2010056644-A1 1- (ARYLSULFONYL) -4- (PI PERAZIN-I -YL) -IH-BENZ IMIDAZOLES AS δ-HYDROXYTRYPTAMINE- 6 LIGANDS WYETH LLC (US) 2010-05-20 — — WO disclosed
US-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2010-05-13 — — US disclosed
US-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2010-05-13 — — US disclosed
US-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2010-05-13 — — 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-20100120779-A1 1-(ARYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS HTR6, TPH1, HTR4 HTR6 1/4885KMT2A 1987/4885ALDH1A1 464/4885

“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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