SCHEMBL6354673

SCHEMBL6354673

O=C(CBr)Nc1ccc(Br)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.52
HPGD P15428 3/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
RAB9A P51151 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.44
AAK1 Q2M2I8 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
SCHEMBL30613082 0.84 NPC1 (0.57) NPC1KMT2AMEN1L3MBTL1HPGD
SCHEMBL10603799 0.84 NPC1 (0.57) NPC1KMT2AMEN1L3MBTL1HPGD
SCHEMBL4261842 0.82 MAPK1 (0.56) NPC1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL28007482 0.82 CA1 (0.51) NPC1KMT2AMEN1L3MBTL1HPGD
SCHEMBL8689243 0.81 TDP1 (0.68) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL16650906 0.77 ALDH1A1 (0.60) KMT2AMEN1L3MBTL1HPGDALDH1A1
SCHEMBL31236186 0.77 ALDH1A1 (0.62) NPC1KMT2AMEN1L3MBTL1HPGD
SCHEMBL9835752 0.77 NPC1 (0.53) NPC1KMT2AMEN1L3MBTL1HPGD
SCHEMBL30499697 0.77 KIF11 (0.51) NPC1KMT2AMEN1L3MBTL1HPGD
SCHEMBL5360905 0.77 L3MBTL1 (0.58) NPC1KMT2AMEN1L3MBTL1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6888003-B2 Method for producing 7-(pyrazole-3-yl) benzoxazoles BASF AKTIENGESELLSCHAFT (DE) 2005-05-03 US disclosed
EP-1272486-B1 METHOD FOR PRODUCING 7-(PYRAZOLE-3-YL) BENZOXAZOLES BASF AG (DE) 2004-08-11 EP disclosed
US-20030050477-A1 Method for producing 7-(pyrazole-3-yl) benzoxazoles BASF AKTIENGESELLSCHAFT (DE) 2003-03-13 US disclosed
EP-1272486-A1 METHOD FOR PRODUCING 7-(PYRAZOLE-3-YL) BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2003-01-08 EP disclosed
WO-2001068644-A1 METHOD FOR PRODUCING 7-(PYRAZOLE-3-YL) BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2001-09-20 WO disclosed
EP-0318649-B1 Positive-working radiation-sensitive composistion and radiation-sensitive recording material produced therefrom for high-energy radiation HOECHST AG (DE) 1996-01-03 EP disclosed
US-5403697-A Comprising compound which forms acid after high energy radiation and an acid-cleavable compound, polymeric binder HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-04 US disclosed
EP-0318649-A2 Positive-working radiation-sensitive composistion and radiation-sensitive recording material produced therefrom for high-energy radiation HOECHST AKTIENGESELLSCHAFT (DE) 1989-06-07 EP disclosed
US-4575479-A HIGH SPEED; PHOTO-FIXING ABILITY RICOH COMPANY, LTD. (JP) 1986-03-11 US disclosed
US-4542394-A MULTILAYER-DIAZONIUM LAYER AND COUPLER LAYER CONTAINING BENZIMIDAZOLE COMPOUND RICOH COMPANY, LTD. (JP) 1985-09-17 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 (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-20030050477-A1 Method for producing 7-(pyrazole-3-yl) benzoxazoles F7, F9, TPO NPC1 3671/4885KMT2A 2545/4885MEN1 2227/4885

“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.