SCHEMBL5654926

SCHEMBL5654926

NCc1cc(Cl)ccc1CCNC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
CNR1 P21554 1/20 0.47
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
METAP2 P50579 4/20 0.43
F2 P00734 3/20 0.42
KMT2A Q03164 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MCHR1 Q99705 1/20 0.40
PRSS1 P07477 1/20 0.39
METAP1 P53582 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL7405242 0.86 HPGD (0.49) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL6925911 0.84 F2 (0.47) F2ALDH1A1PRSS1
SCHEMBL3529974 0.82 HPGD (0.67) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL16795265 0.81 HPGD (0.52) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL17330349 0.81 HPGD (0.47) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL19376791 0.79 HPGD (0.49) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL17330402 0.79 HPGD (0.46) HPGDCNR1PLAAT3PLAAT5PLAAT2
SCHEMBL6921462 0.79 IDO1 (0.54) HPGDKMT2AKDM4EALDH1A1
SCHEMBL6921461 0.78 CYP1A2 (0.49) CNR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL20563681 0.77 HPGD (0.47) HPGDCNR1PLAAT3PLAAT5PLAAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099962-A1 5,6-Dihydropyrin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-05-03 US disclosed
EP-1713774-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-10-25 EP disclosed
EP-1697323-A1 NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-09-06 EP disclosed
WO-2005075424-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
WO-2005058826-A1 NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-06-30 WO disclosed
US-6610701-B2 For therapy and prophylaxis of blood coagulation and cardiovascular disorders MERCK & CO., INC. 2003-08-26 US disclosed
US-20030158218-A1 Thrombin inhibitors NANTERMET PHILIPPE G (US) 2003-08-21 US disclosed
US-6515011-B2 Anticoagulants MERCK & CO., INC. 2003-02-04 US disclosed
US-20020193398-A1 Thrombin inhibitors MERCK & CO., INC. 2002-12-19 US disclosed
US-20020119992-A1 Thrombin inhibitors MERCK & CO., INC. 2002-08-29 US disclosed
WO-2002064211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
WO-2002057225-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-07-25 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 (4 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-20020119992-A1 Thrombin inhibitors SERPINC1, F2, TFPI HPGD 2292/4885CNR1 915/4885PLAAT3 224/4885
US-20030158218-A1 Thrombin inhibitors F2, SERPINC1, TFPI HPGD 1078/4885CNR1 753/4885PLAAT3 1295/4885
US-20070099962-A1 5,6-Dihydropyrin-2-one compounds useful as inhibitors of thrombin F2, SERPINC1, SERPINE1 HPGD 346/4885CNR1 2582/4885PLAAT3 1778/4885
US-20020193398-A1 Thrombin inhibitors F2, F3, TFPI HPGD 2066/4885CNR1 1692/4885PLAAT3 219/4885

“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.