SCHEMBL942572

SCHEMBL942572

CNC(=O)c1ccc(C(=O)OCN)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 7/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HPGD P15428 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ HDAC2 Q92769 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CA2 P00918 1/20 0.49
▸ MMP13 P45452 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ KIF11 P52732 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL28360388 0.84 LMNA (0.54) SMN1; SMN2TSHRMAPTCA2LOXL2
SCHEMBL20267404 0.80 ALDH1A1 (0.66) PLK1SMN1; SMN2HPGDTSHRHTT
SCHEMBL19634288 0.80 PLK1 (0.55) PLK1SMN1; SMN2HPGDTSHRHTT
SCHEMBL19634571 0.80 PLK1 (0.55) PLK1SMN1; SMN2HPGDTSHRHTT
SCHEMBL27350238 0.79 LMNA (0.50) HPGDTSHRMAPTCA2LOXL2
SCHEMBL1763760 0.78 PLK1 (0.67) PLK1SMN1; SMN2HPGDTSHRHTT
SCHEMBL27423425 0.78 PLK1 (0.71) PLK1SMN1; SMN2HPGDTSHRHTT
SCHEMBL250247 0.77 HDAC6 (0.80) PLK1SMN1; SMN2HPGDTSHRHTT
SCHEMBL19557323 0.76 KMT2A (0.69) PLK1SMN1; SMN2HPGDTSHRMAPT
SCHEMBL22995612 0.75 HPGD (0.56) SMN1; SMN2HPGDMAPTLMNACYP1A2

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-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 — — US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 — — US disclosed
US-20110294775-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 — — US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 — — US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 — — 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 (3 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 PLK1 2971/4885SMN1; SMN2 3680/4885HPGD 1524/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 PLK1 3017/4885SMN1; SMN2 4263/4885HPGD 1893/4885
US-20110294775-A1 NOVEL COMPOUNDS TRPV1, OPRL1, TRPA1 PLK1 3500/4885SMN1; SMN2 1771/4885HPGD 1013/4885

“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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