SCHEMBL12489264

SCHEMBL12489264

O=C(N=NN=NC(=O)N1CCCCC1)N1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
CA2 P00918 2/20 0.39
CHKA P35790 1/20 0.39
POLB P06746 3/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
F2 P00734 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL12367675 0.89 ALDH1A1 (0.52) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL103468 0.89 ALDH1A1 (0.52) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL10791 0.89 ALDH1A1 (0.52) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL8951223 0.86 ALDH1A1 (0.48) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL2677860 0.86 ALDH1A1 (0.48) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL13448727 0.77 ALDH1A1 (0.41) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL28463998 0.75 ALDH1A1 (0.48) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL12802471 0.75
SCHEMBL7932103 0.74 ALDH1A1 (0.48) ALDH1A1HPGDMMP1MMP2MMP3
SCHEMBL8035901 0.74 ALDH1A1 (0.48) ALDH1A1HPGDMMP1MMP2MMP3

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
EP-2683710-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2017-07-19 EP disclosed
EP-2683710-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Boehringer Ingelheim International GmbH (DE) 2014-01-15 EP disclosed
US-8569339-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-29 US disclosed
US-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-14 US disclosed
WO-2012122340-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-13 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-20130065918-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A1, GUCY1A2, GUCY1B1 ALDH1A1 1104/4885HPGD 608/4885MMP1 4002/4885

“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.