SCHEMBL6456481

SCHEMBL6456481

O=C(Nc1nccc2sccc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
SCD O00767 1/20 0.51
KCNK3 O14649 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50
ADORA3 P0DMS8 4/20 0.45
POLB P06746 1/20 0.44
KDR P35968 1/20 0.44
MAPK8 P45983 1/20 0.43
HDAC2 Q92769 1/20 0.43
HTT P42858 1/20 0.43
KDM4A O75164 2/20 0.43
KDM4B O94953 2/20 0.43
KDM5B Q9UGL1 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
JAK2 O60674 1/20 0.43
TYK2 P29597 1/20 0.43
MAPK10 P53779 1/20 0.43
ABCG2 Q9UNQ0 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
SCHEMBL6454668 0.79 PKM (0.44) MEN1KMT2ACSNK2A2CSNK2BCSNK2A1
SCHEMBL5874038 0.76 ADORA3 (0.62) NPC1RAB9AADORA3KDRHTT
SCHEMBL6453679 0.76 CSF1R (0.47) NPC1RAB9AADORA3KDRHTT
SCHEMBL6458695 0.75 CSF1R (0.44) NPC1RAB9AADORA3KDRHTT
SCHEMBL6460778 0.75 NPC1 (0.43) NPC1RAB9AKCNK3KCNK9ADORA3
SCHEMBL20500598 0.74 ADORA2A (0.48) RAB9AADORA3MEN1KMT2A
SCHEMBL1768997 0.72 NPC1 (0.49) NPC1RAB9AADORA3HTTMEN1
SCHEMBL21879306 0.72 ADORA2A (0.46) NPC1RAB9AHDAC2HTTMEN1
SCHEMBL995829 0.72 NPC1 (1.00) NPC1RAB9ASCDKCNK3KCNK9
SCHEMBL6452689 0.72 PKM (0.43) NPC1RAB9AADORA3KDRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220298141-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-09-22 US disclosed
US-20220298138-A1 ENZYME INHIBITORS SYGNATURE DISCOVERY LIMITED (GB) 2022-09-22 US disclosed
US-20220289727-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-09-15 US disclosed
EP-4017586-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
EP-4017850-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
WO-2021032935-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032933-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-25 WO disclosed
WO-2021032934-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-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 2523/4885SCD 997/4885
US-20220298141-A1 ENZYME INHIBITORS SERPINB1, ACE, GAA NPC1 452/4885RAB9A 3113/4885SCD 575/4885
US-20220298138-A1 ENZYME INHIBITORS SERPINB1, CMA1, MAOB NPC1 614/4885RAB9A 2367/4885SCD 1152/4885
US-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 NPC1 2231/4885RAB9A 2664/4885SCD 3818/4885

“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.