SCHEMBL3097713

SCHEMBL3097713

CCOC(=O)c1cccc(N2CCCCCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.60
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 1/20 0.59
ATM Q13315 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 2/20 0.53
SIRT2 Q8IXJ6 2/20 0.53
SIRT1 Q96EB6 2/20 0.53
TP53 P04637 1/20 0.52
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
ALOX15 P16050 1/20 0.49
PRKCA P17252 1/20 0.49

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
SCHEMBL10144997 1.00 ALOX5 (0.60) ALOX5ALDH1A1KDM4EMEN1GAA
SCHEMBL8698788 0.87 PLOD2 (0.56) ALOX5ALDH1A1MEN1KMT2AATM
SCHEMBL8698430 0.86 KMO (0.63) ALOX5ALDH1A1MEN1GAAKMT2A
SCHEMBL16595437 0.86 ALDH1A1 (0.56) ALOX5ALDH1A1KDM4EMEN1GAA
SCHEMBL2306348 0.86 ALOX5 (0.58) ALOX5ALDH1A1ATMSMN1; SMN2LMNA
SCHEMBL13598421 0.85 ALOX5 (0.55) ALOX5ALDH1A1KDM4EMEN1GAA
SCHEMBL14881542 0.85 ALOX5 (0.56) ALOX5ALDH1A1MEN1HPGDKMT2A
SCHEMBL242325 0.85 ATM (0.57) ALOX5ALDH1A1MEN1KMT2AATM
SCHEMBL6507440 0.85 ATM (0.57) ALOX5ALDH1A1ATMSMN1; SMN2LMNA
SCHEMBL6011450 0.85 ALDH1A1 (0.56) ALOX5ALDH1A1MEN1GAAHPGD

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-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
EP-2035386-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES AstraZeneca AB (SE) 2009-03-18 EP disclosed
US-20080207596-A1 Novel compounds 329 MARTIN BARRIE 2008-08-28 US disclosed
WO-2007149031-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-12-27 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-20080207596-A1 Novel compounds 329 CCL11, IL2, IL1B ALOX5 2399/4885ALDH1A1 974/4885KDM4E 3798/4885
US-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES IL2, IFNG, IL1B ALOX5 2021/4885ALDH1A1 808/4885KDM4E 3956/4885

“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.