SCHEMBL4402148

SCHEMBL4402148

O=[N+]([O-])c1ccc(O)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 6/20 0.51
ITGB7 P26010 6/20 0.51
MEN1 O00255 1/20 0.47
CRHBP P24387 1/20 0.47
KMT2A Q03164 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR35 Q9HC97 1/20 0.46
CTSB P07858 1/20 0.46
GAA P10253 2/20 0.45
THRB P10828 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CXCR1 P25024 1/20 0.44
CXCR2 P25025 1/20 0.44
HTT P42858 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
Bromide SCHEMBL980626 0.99 ITGA4 (0.50) ITGA4ITGB7MEN1CRHBPKMT2A
Hydrochloric Acid SCHEMBL27872090 0.99 ITGA4 (0.50) ITGA4ITGB7MEN1CRHBPKMT2A
SCHEMBL15846974 0.82 HSD17B10 (0.49) MEN1CRHBPKMT2ACRHR2ALDH1A1
Bromide SCHEMBL17203097 0.82 MAPT (0.44) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL15848192 0.82 ALDH1A1 (0.49) MEN1CRHBPKMT2ACRHR2ALDH1A1
Bromide SCHEMBL5828152 0.81 HSD17B10 (0.47) MEN1CRHBPKMT2ACRHR2ALDH1A1
Bromide SCHEMBL2468888 0.81 ALDH1A1 (0.45) ITGA4ITGB7MEN1KMT2AALDH1A1
SCHEMBL8409393 0.79 ITGA4 (0.53) ITGA4ITGB7MEN1CRHBPKMT2A
Bromide SCHEMBL5829133 0.78 POLB (0.45) MEN1KMT2AALDH1A1TSHRTDP1
Bromide SCHEMBL5828146 0.78 HSD17B10 (0.47) MEN1CRHBPKMT2ACRHR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA LIMITED (IL) 2013-02-21 US disclosed
US-20120108828-A1 SYNTHESIS OF DRONEDARONE AND SALTS THEREOF USV Limited, B.S.D. Marg (IN) 2012-05-03 US disclosed
US-7312345-B2 Process for the preparation of dronedarone ISP INVESTMENTS INC. (US) 2007-12-25 US disclosed
EP-0859776-A1 COMPOUNDS DERIVED FROM OXAZOLIDIN-2-ONE AND PREPARATION AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1998-08-26 EP disclosed
EP-0859775-A1 COMPOUNDS DERIVED FROM 3-(BENZOFURAN-5-YL)OXAZOLIDIN-2-ONE, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1998-08-26 EP disclosed
WO-1997017346-A1 COMPOUNDS DERIVED FROM 3-(BENZOFURAN-5-YL)OXAZOLIDIN-2-ONE, PREPARATION METHOD THEREFOR AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-05-15 WO disclosed
WO-1997017347-A1 COMPOUNDS DERIVED FROM OXAZOLIDIN-2-ONE AND PREPARATION AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-05-15 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-20120108828-A1 SYNTHESIS OF DRONEDARONE AND SALTS THEREOF CYP3A4, CYP2D6, CYP3A43 ITGA4 3352/4885ITGB7 4226/4885MEN1 2739/4885
US-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES CYP2F1, CYP4F3, CYP2D6 ITGA4 3763/4885ITGB7 3117/4885MEN1 2178/4885

“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.