SCHEMBL4825545

SCHEMBL4825545

COC(=O)c1ccc(OCCBr)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
S1PR4 O95977 1/20 0.48
MRGPRX4 Q96LA9 3/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 2/20 0.44
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MCL1 Q07820 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
SCHEMBL10543265 0.91 S1PR4 (0.56) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL401811 0.87 CSNK2A1 (0.51) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4827025 0.87 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13125206 0.87 MAPT (0.53) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19816401 0.85 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4841594 0.85 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL14930507 0.85 THRA (0.56) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL14926450 0.84 THRA (0.62) MAPTMEN1KMT2ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4841582 0.84 MAPT (0.48) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5152503 0.84 KDM4E (0.50) MAPTMEN1KMT2ASMN1; SMN2NPC1

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
US-20080293790-A1 SUBSTITUTED ARYL OXIMES WYETH (US) 2008-11-27 US disclosed
US-7420083-B2 Substituted aryloximes WYETH (US) 2008-09-02 US disclosed
EP-1667676-A1 4-(1-BENZOFURAN-3-YL-METHYLIDENEAMINOXY-PROPOXY)-BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS Wyeth (US) 2006-06-14 EP disclosed
EP-1663189-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY)-PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIREMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBISIS Wyeth (US) 2006-06-07 EP disclosed
US-20050215626-A1 Substituted benzofuran oximes; inhibiting PAI-1 activity; Plasminogen Activator Inhibitor (PAI); treating thrombosis, pulmonary fibrosis, stroke, myocardial ischemia, cardiovascular disease, chronic obstructive pulmonary disease, diabetes, Alzheimer's disease, renal fibrosis, or cancer WYETH (US) 2005-09-29 US disclosed
WO-2005030193-A1 4-(PHENYL-ETHYLIDENEAMINOXY-PROPOXY) -PHENYL-ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS WYETH (US) 2005-04-07 WO disclosed
WO-2005030199-A1 4-(1-BENZOFURAN-3-YL-METHYLIDENEAMINOXY.PROPOXY))-BENZOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PAI-1 INHIBITORS FOR THE TREATMENT OF IMPAIRMENT OF THE FIBRINOLYTIC SYSTEM AND OF THROMBOSIS WYETH (US) 2005-04-07 WO disclosed
US-20050070584-A1 Substituted aryloximes WYETH (US) 2005-03-31 US 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 (3 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-20050070584-A1 Substituted aryloximes AHR, NQO1, AOX1 MAPT 4769/4885MEN1 4290/4885KMT2A 416/4885
US-20050215626-A1 Substituted benzofuran oximes; inhibiting PAI-1 activity; Plasminogen Activator Inhibitor (PAI); treating thrombosis, pulmonary fibrosis, stroke, myocardial ischemia, cardiovascular disease, chronic obstructive pulmonary disease, diabetes, Alzheimer's disease, renal fibrosis, or cancer SERPINE1, PLAT, SERPINB1 MAPT 930/4885MEN1 1688/4885KMT2A 3409/4885
US-20080293790-A1 SUBSTITUTED ARYL OXIMES HCCS, AOX1, TET2 MAPT 4362/4885MEN1 4006/4885KMT2A 757/4885

“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.