SCHEMBL3100227

SCHEMBL3100227

CCOC(=O)c1cccc(N2CC[C@@H](O)C2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
ALOX5 P09917 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
NOTUM Q6P988 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKCA P17252 1/20 0.45
GSK3B P49841 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 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
SCHEMBL6507440 0.92 ATM (0.57) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL6499620 0.89 ATM (0.54) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL6503786 0.89 ATM (0.54) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL6506787 0.86 ATM (0.51) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL242325 0.85 ATM (0.57) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL14879672 0.84 ATM (0.56) ATMALOX5SMN1; SMN2ALDH1A1LMNA
SCHEMBL382520 0.84 TDP1 (0.54) SMN1; SMN2ALDH1A1LMNATDP1MAPK1
SCHEMBL7658812 0.84 TDP1 (0.54) SMN1; SMN2ALDH1A1LMNATDP1MAPK1
SCHEMBL14637591 0.84 TDP1 (0.54) SMN1; SMN2ALDH1A1LMNATDP1MAPK1
SCHEMBL6501171 0.84 ATM (0.56) ATMALOX5SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2010-09-16 US disclosed
CN-101506171-A Isoquinoline derivatives as inhibitors of cytokine mediated diseases and uses thereof ASTRAZENECA AB (SE) 2009-08-12 CN disclosed
US-20080207596-A1 Novel compounds 329 MARTIN BARRIE 2008-08-28 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 (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-20080207596-A1 Novel compounds 329 CCL11, IL2, IL1B ATM 2448/4885ALOX5 2399/4885SMN1; SMN2 1472/4885
US-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES IL2, IFNG, IL1B ATM 1240/4885ALOX5 2021/4885SMN1; SMN2 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.