SCHEMBL4966735

SCHEMBL4966735

O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1NCC1CCCO1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.67
MEN1 O00255 6/20 0.67
LMNA P02545 1/20 0.62
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
HCAR3 P49019 1/20 0.61
MAPT P10636 7/20 0.56
GAA P10253 1/20 0.56
KDM4E B2RXH2 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
FFAR4 Q5NUL3 1/20 0.51
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL4971235 0.85 FFAR4 (0.54) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL4966005 0.85 MAPT (0.57) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL4965321 0.84 FFAR4 (0.58) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL4967594 0.84 MAPT (0.62) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL4967041 0.84 KDM4E (0.57) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL4968052 0.81 KDM4E (0.53) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL3999131 0.79 KMT2A (0.82) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL20797676 0.78 KMT2A (0.65) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL31286096 0.77 HCAR3 (0.65) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL4966987 0.77 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-09-11 US disclosed
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-09-11 US disclosed
EP-1670790-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
EP-1670790-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
EP-1670790-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
WO-2005030762-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 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-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 KMT2A 1921/4885MEN1 3142/4885LMNA 1900/4885
US-20080221178-A1 Benzimidazole Derivatives,Compositions Containing Them, Preparation Thereof and Uses Thereof TBXA2R, CYP2C19, CYP3A43 KMT2A 1923/4885MEN1 3556/4885LMNA 2485/4885

“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.