SCHEMBL6716592

SCHEMBL6716592

O=[N+]([O-])c1ccc(C2=NCCc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
PDE4D Q08499 1/20 0.42
MAOA P21397 1/20 0.42
MAPK10 P53779 1/20 0.42
CHRM1 P11229 1/20 0.41
NPC1 O15118 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41

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
SCHEMBL6717995 0.85 SMN1; SMN2 (0.49) MAPTSMN1; SMN2RAB9ALMNAHPGD
SCHEMBL11482684 0.81 MAPT (0.51) MAPTNOS3NOS2HPGDMAOA
SCHEMBL6718578 0.81 MAPK10 (0.43) MAPTSMN1; SMN2RAB9ALMNAMAPK10
SCHEMBL6721143 0.81 MAPK10 (0.51) MAPTSMN1; SMN2LMNAMAPK10CA1
SCHEMBL6724564 0.81 MAPK10 (0.48) MAPTSMN1; SMN2LMNAHPGDPDE4D
SCHEMBL6716736 0.80 MCL1 (0.46) MAPTSMN1; SMN2LMNAHPGDPDE4D
Hydrochloric Acid SCHEMBL6715145 0.80 CA1 (0.48) MAPTRAB9AMAPK10NPC1CA1
SCHEMBL11476901 0.80 MAPT (0.46) MAPTLMNAMAPK10CA1CA2
SCHEMBL4970947 0.79 HTR7 (0.44) MAPTSMN1; SMN2RAB9ACASP3SENP8
SCHEMBL29384557 0.79 MAPK10 (0.55) NOS3NOS2LMNAMAOAMAPK10

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
CN-100516079-C Isoquinoline triarylamine cyclic metal complex and its uses UNIV XIANGTAN (CN) 2009-07-22 CN disclosed
CN-1966510-A Isoquinoline triarylamine cyclic metal complex and its uses UNIV XIANGTAN (CN) 2007-05-23 CN disclosed
US-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed
US-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors ALTANA PHARMA AG (DE) 2004-03-04 US disclosed
EP-1337515-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2003-08-27 EP disclosed
WO-2002040450-A1 (DIHYDRO)ISOQUINOLINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO disclosed
WO-2002040449-A1 DIHYDROISOQUINOLINES AS NOVEL PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 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-20040044212-A1 (Dihydro) Isoquinoline derivatives as phosphodiesterase inhibitors PDE7B, PDE3B, PDE3A MAPT 4033/4885SMN1; SMN2 3685/4885RAB9A 480/4885

“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.