SCHEMBL2892633

SCHEMBL2892633

Cn1nc(C(N)=O)c2c(I)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPK13 O15264 1/20 0.38
EIF2AK2 P19525 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
LMNA P02545 2/20 0.38
ELANE P08246 2/20 0.37
HTR3A P46098 2/20 0.37
NPC1 O15118 2/20 0.36
IRAK4 Q9NWZ3 4/20 0.36
ADORA3 P0DMS8 1/20 0.36
PKM P14618 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL15517124 0.83 ELANE (0.41) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL21324100 0.81 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL423714 0.75 PDPK1 (0.41) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL31647254 0.75 CCNA2 (0.46) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29789796 0.73 KDM4E (0.60) ALDH1A1KDM4ELMNAELANEHTR3A
SCHEMBL260569 0.73 KDM4E (0.60) ALDH1A1KDM4ELMNAELANEHTR3A
SCHEMBL4230549 0.70 GAA (0.45) GAA
SCHEMBL3659292 0.70 KDM4E (0.39) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9520809 0.69 CNR1 (0.37) HTR3A
SCHEMBL8320853 0.68 NAMPT (0.40) ALDH1A1MAPTMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714017-B2 for prostaglandin-mediated disorders; (E)-3-[1-(2,4-Dichloro-benzyl)-3,3-bis-hydroxymethyl-2-oxo-2,3-dihydro-1H-indol-7-yl]-acrylic acid DECODE GENETICS, EHF (IS) 2010-05-11 US disclosed
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2009-11-26 US disclosed
US-7598397-B2 Sulfonamide peri-substituted bicyclics for occlusive artery disease DECODE GENETICS EHF (IS) 2009-10-06 US disclosed
EP-1814881-A2 CARBOXYLIC ACID PERI - SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE Decode Genetics, Inc. (US) 2007-08-08 EP disclosed
US-20060142355-A1 Carboxylic acid peri-substituted bicyclics for occlusive artery disease DECODE CHEMISTRY, INC. (US) 2006-06-29 US disclosed
WO-2006044415-A2 CARBOXYLIC ACID PERI - SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS, INC. (US) 2006-04-27 WO disclosed
US-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease SAGA INVESTMENTS LLC 2006-04-13 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 (3 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-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGS2 ALDH1A1 903/4885MAPT 4786/4885MEN1 4777/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 ALDH1A1 903/4885MAPT 4786/4885MEN1 4777/4885
US-20060142355-A1 Carboxylic acid peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGDR ALDH1A1 265/4885MAPT 4645/4885MEN1 4718/4885

“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.