SCHEMBL12692903

SCHEMBL12692903

CC(C)(C)c1ccc2c(n1)NC(=O)CS2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ EPHX2 P34913 1/20 0.44
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ MAOB P27338 4/20 0.38
▸ MAOA P21397 3/20 0.38
▸ HTT P42858 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGD P15428 1/20 0.36

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
SCHEMBL4142652 0.79 PDE3B (0.52) PDE3BPDE3AEPHX2KMT2AALDH1A1
SCHEMBL4142650 0.76 PDE3B (0.46) PDE3BPDE3AEPHX2KMT2AALDH1A1
SCHEMBL2292992 0.76 PDE3B (0.46) PDE3BPDE3AEPHX2ALDH1A1MAOB
SCHEMBL13306180 0.75 PDE3B (0.46) PDE3BPDE3AEPHX2KMT2AALDH1A1
SCHEMBL13062776 0.75 PDE3B (0.46) PDE3BPDE3AEPHX2ALDH1A1MAOB
SCHEMBL705557 0.73 PDE3B (0.44) PDE3BPDE3AEPHX2ALDH1A1MAOB
SCHEMBL14429787 0.73 PDE3B (0.44) PDE3BPDE3AEPHX2ALDH1A1MAOB
SCHEMBL1267822 0.72 PDE3B (0.46) PDE3BPDE3AEPHX2ALDH1A1MAOB
SCHEMBL620000 0.72 HTT (0.50) PDE3BPDE3AEPHX2ALDH1A1MAOB
SCHEMBL13356413 0.72 PDE3B (0.43) PDE3BPDE3AEPHX2MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321788-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2016-04-26 — — US disclosed
US-9120822-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-01 — — US disclosed
US-8927541-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 — — US disclosed
US-20140235855-A1 Tricyclic Antibiotics BASILEA PHARMACEUTICA AG (CH) 2014-08-21 — — US disclosed
US-8349829-B2 [4-(1-amino-ethyl)-cyclohexyl]-methyl-amine and [6-(1-amino-ethyl)-tetrahydro-pyran-3-yl]-methyl-amine derivatives as antibacterials ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 — — US disclosed
US-8349829-B2 [4-(1-amino-ethyl)-cyclohexyl]-methyl-amine and [6-(1-amino-ethyl)-tetrahydro-pyran-3-yl]-methyl-amine derivatives as antibacterials ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 — — US disclosed
US-8349828-B2 Azatricyclic antibiotic compounds ACTELION PHARMACEUTICALS LTD. (CH) 2013-01-08 — — US disclosed
WO-2012171860-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2012-12-20 — — WO disclosed
US-20120245345-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2012-09-27 — — US disclosed
US-20110082132-A1 [4-(1-AMINO-EHTYL) - CYCLOHEXYL] -METHYL-AMINE AND [6-(1-AMINO-EHTYL) -TETRAHYDRO-PYRAN-3-YL] -METHYL-AMINE DERIVATIVES AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-07 — — US disclosed
US-20110082132-A1 [4-(1-AMINO-EHTYL) - CYCLOHEXYL] -METHYL-AMINE AND [6-(1-AMINO-EHTYL) -TETRAHYDRO-PYRAN-3-YL] -METHYL-AMINE DERIVATIVES AS ANTIBACTERIALS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-07 — — US disclosed
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-30 — — US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 — — US disclosed
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2010-12-23 — — US disclosed
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 — — US disclosed
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2007-10-18 — — US 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 (6 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-20120245345-A1 TRICYCLIC ANTIBIOTICS CBR1, CBR3, C1S PDE3B 3421/4885PDE3A 3888/4885EPHX2 1610/4885
US-20140235855-A1 Tricyclic Antibiotics CBR1, CYP2S1, C1S PDE3B 2635/4885PDE3A 2593/4885EPHX2 3326/4885
US-20110082132-A1 [4-(1-AMINO-EHTYL) - CYCLOHEXYL] -METHYL-AMINE AND [6-(1-AMINO-EHTYL) -TETRAHYDRO-PYRAN-3-YL] -METHYL-AMINE DERIVATIVES AS ANTIBACTERIALS DOT1L, EHMT1, Q6ZSR9 PDE3B 3319/4885PDE3A 2764/4885EPHX2 1012/4885
US-20070244103-A1 Novel Compounds Having an Anti-Bacterial Activity TOP1, TOP2A, TOP2B PDE3B 514/4885PDE3A 561/4885EPHX2 4401/4885
US-20100331318-A1 AZATRICYCLIC ANTIBIOTIC COMPOUNDS ZYX, AZI2, NAT1 PDE3B 3551/4885PDE3A 2995/4885EPHX2 2851/4885
US-20100324030-A1 5-Quinoline derivatives having an anti-bacterial activity TOP2A, TOP1, TOP2B PDE3B 217/4885PDE3A 304/4885EPHX2 3465/4885

“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.

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