SCHEMBL4387604

SCHEMBL4387604

Clc1ccnc2cc(CBr)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.40
SOS2 Q07890 1/20 0.40
CYP1A2 P05177 1/20 0.39
CCR1 P32246 1/20 0.37
PKM P14618 2/20 0.37
SMYD3 Q9H7B4 1/20 0.36
FERMT2 Q96AC1 3/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APP P05067 1/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
AXL P30530 1/20 0.34
PRKCI P41743 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL30471785 1.00 NR4A2 (0.40) NR4A2SOS2CYP1A2CCR1PKM
SCHEMBL27591763 0.86 NR4A2 (0.38) NR4A2SOS2CYP1A2CCR1PKM
SCHEMBL7219125 0.86 DYRK1B (0.40) NR4A2SOS2CYP1A2MAPTKMT2A
SCHEMBL28175236 0.82 NR4A2 (0.40) NR4A2SOS2CYP1A2CCR1PKM
SCHEMBL5519979 0.82 LOXL2 (0.52) NR4A2SOS2CYP1A2CCR1FERMT2
SCHEMBL4389974 0.82 RECQL (0.52) NR4A2SOS2CYP1A2CCR1PKM
SCHEMBL5531943 0.81 NR4A2 (0.39) NR4A2SOS2CYP1A2CCR1PKM
SCHEMBL19877353 0.79 NR4A2 (0.38) NR4A2SOS2CYP1A2CCR1PKM
SCHEMBL8602761 0.78 MAOA (0.46) NR4A2SOS2CYP1A2CCR1PKM
SCHEMBL8599580 0.78 PKM (0.47) NR4A2SOS2PKMMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111039942-B Nitrogen-containing heterocyclic compound, and preparation method, pharmaceutical composition and application thereof 上海长森药业有限公司 2023-04-14 CN disclosed
CN-111039942-A Nitrogen-containing heterocyclic compound, and preparation method, pharmaceutical composition and application thereof 上海长森药业有限公司 2020-04-21 CN disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
US-7612075-B2 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2009-11-03 US disclosed
EP-1051176-B1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMA INC (US) 2006-11-22 EP disclosed
US-20040102450-A1 Substituted oxoazaheterocyclyl compounds AVENTIS PHARMACEUTICALS INC. (US) 2004-05-27 US disclosed
EP-1051176-A4 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARM PROD INC (US) 2002-06-12 EP disclosed
EP-1208097-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS Aventis Pharmaceuticals Inc. (US) 2002-05-29 EP disclosed
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US disclosed
EP-1086099-A4 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARM PROD INC (US) 2002-01-02 EP disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 US disclosed
CN-1291892-A Substituted oxoazaheterocyclyl factor Xa inhibitors AWENTIS PHARMACEUTICAL INC (US) 2001-04-18 CN disclosed
EP-1086099-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2001-03-28 EP disclosed
WO-2001007436-A2 SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2001-02-01 WO disclosed
EP-1051176-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-2000032590-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-08 WO disclosed
WO-1999062904-A1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-12-09 WO disclosed
WO-1999037304-A1 SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-07-29 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 (2 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-20040102450-A1 Substituted oxoazaheterocyclyl compounds F13B, F9, F11 NR4A2 3595/4885SOS2 1629/4885CYP1A2 58/4885
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 NR4A2 3113/4885SOS2 357/4885CYP1A2 163/4885

“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.