SCHEMBL4416727

SCHEMBL4416727

Cc1ccc(NC(=O)OCc2ccccc2)c(=O)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
CASP3 P42574 2/20 0.51
MAOB P27338 1/20 0.49
POLB P06746 1/20 0.48
ROCK2 O75116 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MGLL Q99685 2/20 0.46
FAAH O00519 1/20 0.46
PTPN1 P18031 1/20 0.46
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP12 P39900 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL7342183 0.84 NPC1 (0.56) NPC1RAB9ACASP3MAOBPOLB
SCHEMBL5113764 0.83 NPC1 (0.54) NPC1RAB9ACASP3MAOBPOLB
SCHEMBL948055 0.83 NPC1 (0.53) NPC1RAB9ACASP3MAOBPOLB
SCHEMBL6556065 0.83 NPC1 (0.53) NPC1RAB9ACASP3MAOBPOLB
SCHEMBL7315228 0.82 NPC1 (0.53) NPC1RAB9ACASP3MAOBPOLB
SCHEMBL7283277 0.82 NPC1 (0.52) NPC1RAB9ACASP3MAOBPOLB
SCHEMBL4019038 0.81 NPC1 (0.58) NPC1RAB9ACASP3MAOBPOLB
SCHEMBL949772 0.80 NPC1 (0.51) NPC1RAB9ACASP3MAOBPOLB
SCHEMBL1909577 0.79 ABCB1 (0.42) NPC1RAB9ACASP3ALDH1A1LMNA
SCHEMBL7274760 0.79 NPC1 (0.55) NPC1RAB9ACASP3MAOBPOLB

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7524871-B2 Thrombin inhibitors UNIVERSITY OF LJUBLJANA, FACULTY OF PHARMACY (SI) 2009-04-28 US disclosed
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
US-7402586-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-07-22 US disclosed
US-7262211-B2 Aromatic heterocyclic non-covalent inhibitors of urokinase and blood vessel formation DENDREON CORPORATION (US) 2007-08-28 US disclosed
US-7262211-B2 Aromatic heterocyclic non-covalent inhibitors of urokinase and blood vessel formation DENDREON CORPORATION (US) 2007-08-28 US disclosed
EP-1036063-B1 HETEROARYL AMINOGUANIDINES AND ALKOXYGUANIDINES AND THEIR USE AS PROTEASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2006-11-02 EP disclosed
US-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-09-21 US disclosed
US-7029654-B2 Heteroaryl aminoguanidines and alkoxyguanidines and their use as protease inhibitors ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
US-5668289-A Pyridinone thrombin inhibitors MERCK & CO., INC. (US) 1997-09-16 US disclosed
WO-1997030708-A1 PYRIDINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-08-28 WO disclosed
US-5658930-A THROMBIN INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-08-19 US disclosed
US-5656645-A INHIBITORS OF THROMBIN CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed
WO-1997001338-A1 PYRIDINONE-THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-01-16 WO disclosed
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed
WO-1996018644-A9 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS 1996-08-01 WO disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO disclosed
US-5521179-A Heterocyclic amides ZENECA LIMITED (GB) 1996-05-28 US disclosed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP 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-20060211719-A1 Heteroaryl aminoguanidine and alkoxyguanidines and their use as protease inhibitors F9, PLG, MMP9 NPC1 3660/4885RAB9A 97/4885CASP3 575/4885

“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.