SCHEMBL6460778

SCHEMBL6460778

O=Cc1cc2c(NC(=O)c3ccccc3)nccc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ADORA3 P0DMS8 6/20 0.43
ALDH1A1 P00352 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TMIGD3 P0DMS9 1/20 0.40
CSF1R P07333 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDR P35968 1/20 0.39
BRD4 O60885 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4B O94953 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KCNK3 O14649 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
SCHEMBL6452681 0.87 PKM (0.43) NPC1RAB9AADORA3ALDH1A1CASP3
SCHEMBL6452689 0.87 PKM (0.43) NPC1RAB9AADORA3ALDH1A1CASP3
SCHEMBL6453679 0.81 CSF1R (0.47) NPC1RAB9AADORA3ALDH1A1CASP3
SCHEMBL6458695 0.80 CSF1R (0.44) NPC1RAB9AADORA3ALDH1A1CASP3
SCHEMBL6456481 0.75 NPC1 (0.56) NPC1RAB9AADORA3HTTMEN1
SCHEMBL6435745 0.74 ADORA3 (0.47) NPC1RAB9AADORA3TMIGD3HTT
SCHEMBL6435371 0.73 ADORA3 (0.52) NPC1RAB9AADORA3TMIGD3HTT
SCHEMBL1768883 0.72 MET (0.46) NPC1RAB9AADORA3ALDH1A1TMIGD3
SCHEMBL5874038 0.71 ADORA3 (0.62) NPC1RAB9AADORA3TMIGD3HTT
SCHEMBL23088271 0.69 CYP2A6 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298138-A1 ENZYME INHIBITORS SYGNATURE DISCOVERY LIMITED (GB) 2022-09-22 US disclosed
US-20220298141-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-09-22 US disclosed
US-20220289727-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-09-15 US disclosed
EP-4017850-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
EP-4017586-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
EP-4017849-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
CN-114286820-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-04-05 CN disclosed
CN-114269431-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-04-01 CN disclosed
CN-114258392-A Enzyme inhibitors 卡尔维斯塔制药有限公司 2022-03-29 CN disclosed
WO-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032935-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032938-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
EP-1505062-A1 Heterocyclic derivatives and their use as antithrombotic agents Akzo Nobel N.V. (NL) 2005-02-09 EP disclosed
US-6797710-B2 CARDIOVASCULAR DISORDERS; SERINE PROTEASE INHIBITOR; ADMINISTERING BY MOUTH; BIOAVAILABILITY AKZO NOBEL N.V. (NL) 2004-09-28 US disclosed
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents MERCK SHARP & DOHME B.V. (NL) 2003-07-10 US disclosed
US-6444672-B1 ORAL BIOVAILABILITY; INHIBITORS OF THROMBIN AND/OR FACTOR XA; SERINE PROTEASE INHIBITOR AKZO NOBEL N.V. (NL) 2002-09-03 US disclosed
US-6432955-B1 ANTICOAGULANTS AKZO NOBEL N.V. (NL) 2002-08-13 US disclosed
US-6194409-B1 SERINE PROTEASE INHIBITOR; BIOAVAILABILITY WHEN ADMINISTERED BY MOUTH AKZO NOBEL N.V. (NL) 2001-02-27 US disclosed
EP-0975600-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS Akzo Nobel N.V. (NL) 2000-02-02 EP disclosed
WO-1998047876-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS AKZO NOBEL N.V. (NL) 1998-10-29 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-20220289727-A1 ENZYME INHIBITORS SERPINB1, ACE, GAA NPC1 751/4885RAB9A 2523/4885ADORA3 703/4885
US-20220298141-A1 ENZYME INHIBITORS SERPINB1, ACE, GAA NPC1 452/4885RAB9A 3113/4885ADORA3 1920/4885
US-20220298138-A1 ENZYME INHIBITORS SERPINB1, CMA1, MAOB NPC1 614/4885RAB9A 2367/4885ADORA3 1224/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 NPC1 2231/4885RAB9A 2664/4885ADORA3 178/4885

“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.