SCHEMBL3450491

SCHEMBL3450491

COc1cccc(N)c1NC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
ADRA2B P18089 1/20 0.47
PTGS1 P23219 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
IDO1 P14902 1/20 0.46
DYRK1A Q13627 1/20 0.46
HDAC1 Q13547 1/20 0.46
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
KMT2A Q03164 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL7500143 0.87 KDM4E (0.53) ALDH1A1MAPK1KDM4ECYP1A2CYP2C9
SCHEMBL5112374 0.86 CA12 (0.47) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL9474878 0.81 HDAC1 (0.45) ALDH1A1KDM4EHDAC1HSD17B10HPGD
SCHEMBL13498196 0.81 TDP1 (0.44) ALDH1A1TDP1KDM4ECYP1A2CYP2C9
SCHEMBL10945752 0.81 BRD4 (0.47) ALDH1A1KDM4EHDAC1HSD17B10KMT2A
SCHEMBL5480782 0.81 ATM (0.56) ALDH1A1MAPK1KDM4ECYP1A2CYP2C9
SCHEMBL10874427 0.81 KMT2A (0.51) ALDH1A1MAPK1KDM4ECYP1A2CYP2C9
SCHEMBL3208371 0.81 MAPT (0.52) ALDH1A1MAPK1KDM4ECYP1A2CYP2C9
SCHEMBL7018503 0.80 MAPK1 (0.51) ALDH1A1MAPK1KDM4ECYP1A2CYP2C9
SCHEMBL12730437 0.80 ALDH1A1 (0.44) ALDH1A1ADRA2BPTGS1TDP1KDM4E

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
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
US-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2010-02-04 US disclosed
EP-2094670-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY AstraZeneca AB (SE) 2009-09-02 EP disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 WO disclosed
WO-2008056150-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-I ANTAGONISTIC ACTIVITY ASTRAZENECA AB (SE) 2008-05-15 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 (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-20100029643-A1 HETEROCYCLYC SULFONAMIDES HAVING EDG-1 ANTAGONISTIC ACTIVITY EDF1, ERLIN1, ECE1 ALDH1A1 1056/4885ADRA2B 4611/4885PTGS1 36/4885

“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.