SCHEMBL6453679

SCHEMBL6453679

O=C(Nc1nccc2sc(CO)cc12)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 1/20 0.47
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
ADORA3 P0DMS8 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
HTT P42858 1/20 0.43
MAPK14 Q16539 1/20 0.41
KDR P35968 3/20 0.41
PABPC1 P11940 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP5 Q96HI0 1/20 0.40
SENP2 Q9HC62 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
BRD4 O60885 1/20 0.40
KDM4A O75164 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
SCHEMBL6458695 0.89 CSF1R (0.44) CSF1RNPC1RAB9AADORA3ALDH1A1
SCHEMBL6460778 0.81 NPC1 (0.43) CSF1RNPC1RAB9AADORA3ALDH1A1
SCHEMBL6452689 0.78 PKM (0.43) CSF1RNPC1RAB9AADORA3ALDH1A1
SCHEMBL6452681 0.78 PKM (0.43) CSF1RNPC1RAB9AADORA3ALDH1A1
SCHEMBL31751115 0.77 LCK (0.39) KDR
SCHEMBL6461074 0.76 MET (0.46) CSF1RNPC1RAB9AADORA3ALDH1A1
SCHEMBL6456481 0.76 NPC1 (0.56) NPC1RAB9AADORA3HTTKDR
SCHEMBL6438858 0.75 CSF1R (0.54) CSF1RNPC1RAB9AADORA3HTT
SCHEMBL23012751 0.75 MEN1 (0.46) RAB9AALDH1A1HTTMAPK14MEN1
SCHEMBL6435363 0.74 CSF1R (0.53) CSF1RNPC1RAB9AADORA3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030130270-A1 Heterocyclic derivatives and their use as antithrombotic agents F2, F12, VKORC1 CSF1R 3030/4885NPC1 2231/4885RAB9A 2664/4885

“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.