SCHEMBL6370923

SCHEMBL6370923

N=C(NO)c1ccc(NCC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
AGTR1 P30556 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PRSS1 P07477 8/20 0.40
MMP2 P08253 1/20 0.39
MMP7 P09237 1/20 0.39
MMP10 P09238 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC1 Q13547 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
SCHEMBL5692310 0.80 ALDH1A1 (0.44) ALDH1A1RAB9ANPC1HPGDAGTR1
SCHEMBL4629413 0.80 AKR1C3 (0.53) ITGB3ITGA2BALDH1A1AGTR1SMN1; SMN2
SCHEMBL2525700 0.80 PRSS1 (0.62) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL18033882 0.79 ALDH1A1 (0.42) ITGB3ITGA2BALDH1A1RAB9ANPC1
SCHEMBL400499 0.79 TP53 (0.52) ALDH1A1RAB9ANPC1HPGDAGTR1
SCHEMBL3976263 0.79 PRSS1 (0.52) ALDH1A1PRSS1POLBMAPTHDAC1
SCHEMBL29051542 0.79 ALDH1A1 (0.46) ITGB3ITGA2BALDH1A1RAB9ANPC1
SCHEMBL15577892 0.78 ALDH1A1 (0.41) ITGB3ITGA2BALDH1A1RAB9ANPC1
Methane SCHEMBL364406 0.77 TP53 (0.50) ALDH1A1RAB9ANPC1HPGDAGTR1
Phosphonic Acid SCHEMBL15485473 0.76 PRSS1 (0.57) ITGB3ITGA2BPRSS1F2PRSS2

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 ITGB3 1459/4885ITGA2B 795/4885ALDH1A1 2598/4885

“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.