SCHEMBL1553579

SCHEMBL1553579

COc1ccccc1NC(C)=O.O=S(=O)(Cl)Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
HTT P42858 2/20 0.59
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
MAPK1 P28482 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MCL1 Q07820 1/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 2/20 0.54
CASP6 P55212 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.53
BRD4 O60885 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
GAA P10253 1/20 0.51

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
SCHEMBL30356246 0.91 KMT2A (0.70) KMT2AHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL171580 0.91 KMT2A (0.70) KMT2AHTTALDH1A1SMN1; SMN2MAPT
Methylene Chloride SCHEMBL28673752 0.88 KMT2A (0.62) KMT2AALDH1A1SMN1; SMN2MAPTMAPK1
Acetic Acid SCHEMBL28676657 0.88 KMT2A (0.66) KMT2AHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL28185207 0.83 NPC1 (0.67) KMT2AHTTALDH1A1SMN1; SMN2MAPT
Nitric Acid SCHEMBL28687030 0.82 KMT2A (0.59) KMT2AHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL28742440 0.82 KMT2A (0.59) KMT2AALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL9018859 0.80 KMT2A (0.60) KMT2AHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL29896324 0.79 KMT2A (0.55) KMT2AHTTALDH1A1SMN1; SMN2MAPT
SCHEMBL18285443 0.79 KMT2A (0.55) KMT2AHTTALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934307-B1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LTD (GB) 2011-04-27 EP disclosed
EP-2223920-A2 Substituted azabicyclic compounds Aventis Pharma Limited (GB) 2010-09-01 EP disclosed
US-7329675-B2 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2008-02-12 US disclosed
US-20050038069-A1 Substituted azabicyclic compounds AVENTIS PHARMA LIMITED (GB) 2005-02-17 US disclosed
US-6800645-B1 INHIBIT PRODUCTION OR PHYSIOLOGICAL EFFECTS OF TNF, INHIBIT CYCLIC AMP PHOSPHODIESTERASE AVENTIS PHARMA LIMITED (GB) 2004-10-05 US disclosed
US-20020173527-A1 Substituted azabicyclic compounds ASTLES PETER CHARLES (GB) 2002-11-21 US disclosed
US-6303600-B1 USED IN THERAPY OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY RHONE-POULENC RORER LIMITED (GB) 2001-10-16 US disclosed
EP-0934307-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1999-08-11 EP disclosed
WO-1997048697-A1 SUBSTITUTED AZABICYLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF THE PRODUCTION OF TNF AND CYCLIC AMP PHOSPHODIESTERASE RHONE-POULENC RORER LIMITED (GB) 1997-12-24 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-20020173527-A1 Substituted azabicyclic compounds CBR1, NOX1, POR KMT2A 4767/4885HTT 4854/4885ALDH1A1 375/4885
US-20050038069-A1 Substituted azabicyclic compounds NR2C2, NR3C1, NR3C2 KMT2A 2258/4885HTT 3000/4885ALDH1A1 2795/4885

“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.