SCHEMBL6438827

SCHEMBL6438827

[NH]C(=N)NCC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.52
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
CA9 Q16790 1/20 0.48
CYP2D6 P10635 1/20 0.47
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HDAC6 Q9UBN7 3/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL5319986 0.79 EPHX1 (0.50) EPHX1CA12CA1CA2MMP1
SCHEMBL20155192 0.79 EPHX1 (0.50) EPHX1CA12CA1CA2MMP1
SCHEMBL8394528 0.79 EPHX1 (0.50) EPHX1CA12CA1CA2MMP1
SCHEMBL4103322 0.79 EPHX1 (0.50) EPHX1CA12CA1CA2MMP1
SCHEMBL14448413 0.79 EPHX1 (0.50) EPHX1CA12CA1CA2MMP1
SCHEMBL19359628 0.79 EPHX1 (0.50) EPHX1CA12CA1CA2MMP1
SCHEMBL5211292 0.79 EPHX1 (0.61) EPHX1CA12CA1CA2MMP1
SCHEMBL31284220 0.77 EPHX1 (0.48) EPHX1CA12CA1CA2MMP1
Hydrochloric Acid SCHEMBL28129388 0.77 CYP2D6 (0.48) EPHX1CA12CA1CA2MMP1
SCHEMBL23717992 0.76 EPHX1 (0.47) EPHX1CA12CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936622-B2 6-phenylbenzonaphthyridines ALTANA PHARMA AG (DE) 2005-08-30 US claimed
EP-1377574-B1 6-PHENYLBENZONAPHTHYRIDINES BYK GULDEN LOMBERG CHEM FAB (DE) 2005-01-19 EP claimed
US-20040097537-A1 6-phenylbenzonaphthyridines TAKEDA GMBH (DE) 2004-05-20 US claimed
EP-1377574-A1 6-PHENYLBENZONAPHTHYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2004-01-07 EP claimed
WO-2002066476-A9 6-PHENYLBENZONAPHTHYRIDINES ALTANA PHARMA AG (DE) 2003-10-30 WO claimed
WO-2002066476-A1 6-PHENYLBENZONAPHTHYRIDINES ALTANA PHARMA AG (DE) 2002-08-29 WO claimed
US-6936622-B2 6-phenylbenzonaphthyridines ALTANA PHARMA AG (DE) 2005-08-30 US disclosed
EP-1377574-B1 6-PHENYLBENZONAPHTHYRIDINES BYK GULDEN LOMBERG CHEM FAB (DE) 2005-01-19 EP disclosed
US-20040097537-A1 6-phenylbenzonaphthyridines TAKEDA GMBH (DE) 2004-05-20 US disclosed
EP-1377574-A1 6-PHENYLBENZONAPHTHYRIDINES Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2004-01-07 EP disclosed
WO-2002066476-A9 6-PHENYLBENZONAPHTHYRIDINES ALTANA PHARMA AG (DE) 2003-10-30 WO disclosed
WO-2002066476-A1 6-PHENYLBENZONAPHTHYRIDINES ALTANA PHARMA AG (DE) 2002-08-29 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-20040097537-A1 6-phenylbenzonaphthyridines PDE3A, PDE4A, PDE3B EPHX1 2106/4885CA12 4206/4885CA1 3995/4885

“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.