SCHEMBL3093159

SCHEMBL3093159

Cc1ccc(C(=O)O)cc1-n1ccc2ccc(OCCN3CCCC3)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.45
KDM4E B2RXH2 6/20 0.45
LTA4H P09960 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
PSMB1 P20618 1/20 0.44
PSMB5 P28074 1/20 0.44
PSMB2 P49721 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
POLB P06746 2/20 0.43
MAOB P27338 1/20 0.43
GCGR P47871 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
TSHR P16473 1/20 0.42
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL1399864 0.99 PSMB1 (0.46) MAPK14KDM4ELTA4HMEN1HTT
SCHEMBL1399861 0.92 ALDH1A1 (0.48) MAPK14KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL3100907 0.91 KMT2A (0.47) MAPK14KDM4EMEN1HTTKMT2A
SCHEMBL1399803 0.89 MAPK14 (0.59) MAPK14
SCHEMBL1400018 0.89 MAPK14 (0.47) MAPK14KDM4EPSMB1PSMB5PSMB2
SCHEMBL1399746 0.88 MAPK14 (0.58) MAPK14
SCHEMBL1399869 0.88 MAPK14 (0.47) MAPK14KDM4EMEN1HTTKMT2A
SCHEMBL3112375 0.87 JAK2 (0.44) KDM4EMEN1HTTKMT2APOLB
SCHEMBL1399878 0.87 MAPK14 (0.47) MAPK14KDM4EPSMB1PSMB5PSMB2
SCHEMBL3100002 0.86 MAOB (0.45) KDM4ELTA4HMAOBHRH3KCNH2

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 4 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
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 MAPK14 1168/4885KDM4E 3798/4885LTA4H 804/4885
US-20100234355-A1 ISOQUINOLINE DERIVATIVES AND THEIR USE AS INHIBITORS OF CYTOKINE MEDIATED DISEASES IL2, IFNG, IL1B MAPK14 1073/4885KDM4E 3956/4885LTA4H 1023/4885

“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.