SCHEMBL10024798

SCHEMBL10024798

CCOC(=O)[C@@H](CC)N(c1nc(Cl)ncc1[N+](=O)[O-])C(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 14/20 0.37
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1288296 0.91 PIN1 (0.38) PIN1ALDH1A1
SCHEMBL10449200 0.91 PIN1 (0.38) PIN1ALDH1A1
SCHEMBL1288298 0.91 PIN1 (0.38) PIN1ALDH1A1
SCHEMBL1688573 0.89 PIN1 (0.35) PIN1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL10320947 0.88 PIN1 (0.39) PIN1ALDH1A1MAPT
SCHEMBL10321154 0.88 PIN1 (0.39) PIN1ALDH1A1MAPT
SCHEMBL10320949 0.88 PIN1 (0.39) PIN1ALDH1A1MAPT
SCHEMBL10320625 0.88 PIN1 (0.39) PIN1ALDH1A1MAPT
SCHEMBL1288577 0.83 PIN1 (0.39) PIN1ALDH1A1
SCHEMBL2027328 0.82 PIN1 (0.35) PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43115-E1 Process for the manufacture of fused piperazin-2-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-17 US disclosed
US-RE43115-E1 Process for the manufacture of fused piperazin-2-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-17 US disclosed
US-7626019-B2 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-7626019-B2 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-01 US disclosed
US-20070219369-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-20 US disclosed
US-20070219369-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-20 US disclosed
US-20070213529-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213529-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213534-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213534-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213531-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213531-A1 Process for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213528-A1 Process for the Manufacture of Fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213528-A1 Process for the Manufacture of Fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213530-A1 Intermediate Compounds for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070213530-A1 Intermediate Compounds for the Manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-13 US disclosed
US-20070208027-A1 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-06 US disclosed
US-20070208027-A1 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives DURAN ADIL 2007-09-06 US disclosed
US-7238807-B2 Hydrogenating a nitropyrimidine derivative with hydrogen in the presence of a hydrogenation catalyst, adding a copper, iron or vanadium compound to produce 7,8-dihydro-5H-pteridin-6-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-03 US disclosed
US-7238807-B2 Hydrogenating a nitropyrimidine derivative with hydrogen in the presence of a hydrogenation catalyst, adding a copper, iron or vanadium compound to produce 7,8-dihydro-5H-pteridin-6-one derivatives BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-07-03 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 (7 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-20070219369-A1 Process for the Manufacture of fused piperazin-2-one derivatives DHFR, DPYD, DHPS PIN1 622/4885ALDH1A1 222/4885L3MBTL1 4605/4885
US-20070213531-A1 Process for the Manufacture of fused piperazin-2-one derivatives DHFR, DPYD, DHPS PIN1 622/4885ALDH1A1 222/4885L3MBTL1 4605/4885
US-20070213534-A1 Process for the Manufacture of fused piperazin-2-one derivatives DHFR, DPYD, DHPS PIN1 622/4885ALDH1A1 222/4885L3MBTL1 4605/4885
US-20070213530-A1 Intermediate Compounds for the Manufacture of fused piperazin-2-one derivatives DHFR, DPYD, DHPS PIN1 410/4885ALDH1A1 222/4885L3MBTL1 4480/4885
US-20070208027-A1 Intermediate compounds for the manufacture of fused piperazin-2-one derivatives DHFR, DPYD, DHPS PIN1 410/4885ALDH1A1 222/4885L3MBTL1 4480/4885
US-20070213529-A1 Process for the Manufacture of fused piperazin-2-one derivatives DHFR, DPYD, DHPS PIN1 622/4885ALDH1A1 222/4885L3MBTL1 4605/4885
US-20070213528-A1 Process for the Manufacture of Fused piperazin-2-one derivatives DHFR, DPYD, DHPS PIN1 622/4885ALDH1A1 222/4885L3MBTL1 4605/4885

“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.