SCHEMBL4470958

SCHEMBL4470958

O=C(c1ccc(F)cc1)C(Br)c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
SLC6A9 P48067 1/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 1/20 0.40
GSK3B P49841 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
PTPN1 P18031 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.38
MAPK14 Q16539 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
USP2 O75604 1/20 0.38

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
Bromide SCHEMBL2795481 0.98 LTA4H (0.53) LTA4HSLC6A9KMT2APOLBMEN1
SCHEMBL2662926 0.93 LTA4H (0.55) LTA4HSLC6A9KMT2APOLBMEN1
SCHEMBL2534850 0.87 CES2 (0.48) LTA4HCES2CES1GSK3BPTPN1
SCHEMBL7149547 0.83 GSK3B (0.62) CES2CES1GSK3BPTPN1
SCHEMBL7144679 0.83 CYP19A1 (0.48) KMT2AMEN1CES2CES1L3MBTL1
SCHEMBL7147231 0.83 ALDH1A1 (0.42) KMT2APOLBCES2CES1L3MBTL1
SCHEMBL682581 0.82 CES2 (0.53) KMT2AMEN1CES2CES1L3MBTL1
SCHEMBL3115655 0.82 MEN1 (0.52) KMT2AMEN1CES2CES1L3MBTL1
SCHEMBL3354690 0.82 LTA4H (0.39) LTA4HKMT2ACES2CES1PTGS2
Bromide SCHEMBL6284163 0.82 GSK3B (0.60) CES2CES1GSK3BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7479501-B2 Heteroaryl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2009-01-20 US disclosed
US-6979686-B1 Substituted pyrazoles as p38 kinase inhibitors PHARMACIA CORPORATION (US) 2005-12-27 US disclosed
US-20050090501-A1 Heteroaryl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2005-04-28 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
EP-1140916-B1 HETEROARYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2002-11-13 EP disclosed
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed
EP-1000055-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. Searle & Co. (US) 2000-05-17 EP disclosed
WO-1998052940-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE AND CO. (US) 1998-11-26 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 LTA4H 825/4885SLC6A9 4736/4885KMT2A 4107/4885
US-20050090501-A1 Heteroaryl-cyclic acetals TNF, TNFRSF1A, CD40 LTA4H 36/4885SLC6A9 4452/4885KMT2A 3702/4885

“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.