SCHEMBL2328652

SCHEMBL2328652

O=[N+]([O-])c1ccc(O)c(CBr)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
CRHBP P24387 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR35 Q9HC97 1/20 0.45
CTSB P07858 1/20 0.45
ITGA4 P13612 5/20 0.45
ITGB7 P26010 5/20 0.45
NOX4 Q9NPH5 1/20 0.44
GAA P10253 2/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CXCR1 P25024 1/20 0.43
CXCR2 P25025 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
SCHEMBL131912 0.88 GPR35 (0.56) MEN1CRHBPKMT2ACRHR2ALDH1A1
2,4-Dinitrophenol SCHEMBL28912958 0.78 ALDH1A1 (0.72) MEN1KMT2AALDH1A1HPGDTP53
SCHEMBL7973148 0.77 ALDH1A1 (0.49) MEN1KMT2AALDH1A1HPGDTSHR
SCHEMBL28013151 0.75 GPR35 (0.53) MEN1CRHBPKMT2ACRHR2ALDH1A1
SCHEMBL5973940 0.75 CYP2C19 (0.51) MEN1CRHBPKMT2ACRHR2ALDH1A1
SCHEMBL7876386 0.75 GPR35 (0.56) MEN1KMT2AALDH1A1HPGDTP53
SCHEMBL15283303 0.75 ALDH1A1 (0.56) MEN1CRHBPKMT2ACRHR2ALDH1A1
SCHEMBL8409393 0.75 ITGA4 (0.53) MEN1CRHBPKMT2ACRHR2ALDH1A1
SCHEMBL21931634 0.74 ESR1 (0.48) TSHRTDP1
SCHEMBL51277 0.74 GPR35 (0.60) 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
EP-2533636-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES Mapi Pharma Limited (IL) 2012-12-19 EP disclosed
WO-2011099010-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES MAPI PHARMA HOLDINGS (CYPRUS) LIMITED (CY) 2011-08-18 WO disclosed
US-5854282-A 3-benzoyl benzofuran derivatives as thyroid hormone antagonists KARO BIO AB (SE) 1998-12-29 US disclosed
EP-0775129-B1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KAROBIO AB (SE) 1998-10-21 EP disclosed
EP-0775129-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1997-05-28 EP disclosed
WO-1996005190-A1 3-BENZOYL BENZOFURAN DERIVATIVES AS THYROID HORMONE ANTAGONISTS KARO BIO AB (SE) 1996-02-22 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 (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-20130046103-A1 PREPARATION OF BENZOFURANS AND USE THEREOF AS SYNTHETIC INTERMEDIATES CYP2F1, CYP4F3, CYP2D6 MEN1 2178/4885CRHBP 4464/4885KMT2A 2976/4885

“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.