SCHEMBL1248698

SCHEMBL1248698

O=C(O)N1CCN(c2cccc([N+](=O)[O-])c2[N+](=O)[O-])CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.53
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 4/20 0.46
MAPT P10636 4/20 0.46
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
ENPP2 Q13822 2/20 0.46
GPR174 Q9BXC1 1/20 0.46
GPR35 Q9HC97 1/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 2/20 0.44
HSP90AA1 P07900 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1248699 1.00 GRM5 (0.53) GRM5KMT2AMEN1L3MBTL1LMNA
SCHEMBL2471909 0.88 HTT (0.54) GRM5KMT2AMEN1L3MBTL1LMNA
SCHEMBL4526192 0.87 GRM5 (0.67) GRM5KMT2AMEN1L3MBTL1LMNA
SCHEMBL28744241 0.86 ALDH1A1 (0.51) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL1247295 0.82 MAPT (0.59) GRM5KMT2AMEN1L3MBTL1LMNA
SCHEMBL12128754 0.81 MAPT (0.52) KMT2AL3MBTL1LMNAMAPTHTT
SCHEMBL6663091 0.78 MAPT (0.52) LMNAMAPTGPR35ALDH1A1MAPK1
SCHEMBL27955986 0.77 MAPT (0.52) GRM5KMT2AMEN1LMNAMAPT
SCHEMBL4971357 0.76 MAPT (0.48) KMT2AMEN1L3MBTL1MAPTHTT
SCHEMBL3624869 0.76 CTSB (0.69) GRM5KMT2AMEN1L3MBTL1LMNA

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
EP-2285784-B1 2-METHYL-1-(PHENYLSULFONYL)-4-(PIPERAZIN-1-YL)-1H-BENZIMIDAZOLE AS 5-HYDROXYTRYPTAMINE-6 LIGAND WYETH LLC (US) 2012-07-04 EP 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

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 GRM5 76/4885KMT2A 1987/4885MEN1 2357/4885

“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.