SCHEMBL6370928

SCHEMBL6370928

N=C(N)N(CC(=O)O)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA2 P00918 3/20 0.38
CAMK2A Q9UQM7 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA3 P07451 1/20 0.38
TYR P14679 1/20 0.38
DRD1 P21728 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MPO P05164 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL3282238 0.85 CA2 (0.41) ALDH1A1CA2CAMK2AESR1ESR2
SCHEMBL4641311 0.85 ADRA2C (0.49) ALDH1A1CYP3A4BLMPMP22ADRA2C
SCHEMBL179788 0.81 CA2 (0.43) ALDH1A1CA2CAMK2ACA12CA1
SCHEMBL4629417 0.80 PARP1 (0.43) ALDH1A1CA2CA12CA1CA6
SCHEMBL3656192 0.80 ALDH1A1 (0.51) LMNAALDH1A1CA2CAMK2ACA12
SCHEMBL935744 0.78 MLYCD (0.41) ALDH1A1CA2CAMK2AESR1ESR2
SCHEMBL11801937 0.78 MLYCD (0.41) LMNAALDH1A1PMP22HIF1AMLYCD
SCHEMBL3661402 0.77 ALDH1A1 (0.60) LMNAALDH1A1ESR1ESR2ADRA2C
SCHEMBL6470863 0.75 ESR1 (0.41) ALDH1A1ESR1ESR2MLYCD
SCHEMBL11085642 0.75 CA2 (0.45) LMNAALDH1A1CA2CAMK2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US claimed
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP claimed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 WO claimed
US-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same CURACYTE AG (DE) 2005-06-02 US disclosed
EP-1483285-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME Curacyte AG (DE) 2004-12-08 EP disclosed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 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-20050119190-A1 Inhibitors of the blood-clotting factor xa, production thereof and use of the same SERPINC1, TFPI, F11 LMNA 562/4885ALDH1A1 2598/4885CA2 2236/4885

“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.