SCHEMBL1249558

SCHEMBL1249558

Cc1c(Cl)cccc1S(=O)(=O)n1cnc2c(N3CCNC(C)C3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.41
HTR1A P08908 2/20 0.39
DRD2 P14416 1/20 0.39
HTR7 P34969 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
LCK P06239 1/20 0.36
SRC P12931 1/20 0.36
AKR1C3 P42330 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 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
SCHEMBL1249792 1.00 HTR6 (0.41) HTR6HTR1ADRD2HTR7ALDH1A1
SCHEMBL1249536 1.00 HTR6 (0.41) HTR6HTR1ADRD2HTR7ALDH1A1
SCHEMBL1249595 0.92 HTR6 (0.49) HTR6HTR1ADRD2HTR7ALDH1A1
SCHEMBL1248638 0.92 HTR6 (0.49) HTR6HTR1ADRD2HTR7ALDH1A1
SCHEMBL1250098 0.92 HTR6 (0.49) HTR6HTR1ADRD2HTR7ALDH1A1
SCHEMBL1247196 0.87 HTR6 (0.54) HTR6HTR1ADRD2HTR7
SCHEMBL1248505 0.85 HTR6 (0.52) HTR6ALDH1A1LMNALCKSRC
SCHEMBL1249584 0.84 CYP3A4 (0.46) HTR6DRD2HTR7KMT2ACYP3A4
SCHEMBL1250134 0.84 CYP3A4 (0.46) HTR6DRD2HTR7KMT2ACYP3A4
SCHEMBL1249746 0.84 CYP3A4 (0.46) HTR6DRD2HTR7KMT2ACYP3A4

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 1/4885HTR1A 6/4885DRD2 429/4885

“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.