SCHEMBL5729074

SCHEMBL5729074

O=C(c1ccc([N+](=O)[O-])cc1)c1c(-c2ccc(O)cc2)noc1-c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CES1 P23141 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA4 P22748 3/20 0.43
CA7 P43166 3/20 0.43
SRD5A2 P31213 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
GAA P10253 1/20 0.42

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
SCHEMBL5728792 0.88 PTGS1 (0.48) MAPK1LMNAHTTL3MBTL1KMT2A
SCHEMBL5729599 0.85 CES2 (0.49) HTTCES1KMT2AMEN1KDM4E
SCHEMBL5728694 0.81 MAPK1 (0.53) MAPK1LMNAHTTKMT2AMEN1
SCHEMBL5730021 0.81 KMT2A (0.46) POLBLMNAHTTL3MBTL1CES1
SCHEMBL5729117 0.81 PTGS1 (0.55) POLBMAPK1LMNAL3MBTL1KMT2A
SCHEMBL5729425 0.78 MEN1 (0.49) POLBLMNAHTTL3MBTL1CES1
SCHEMBL5730307 0.78 MEN1 (0.49) POLBLMNAHTTL3MBTL1CES1
SCHEMBL5730435 0.78 MAPT (0.45) LMNAL3MBTL1KMT2AMEN1KDM4E
SCHEMBL5729240 0.75 SRD5A2 (0.41) LMNAHTTL3MBTL1KMT2AMEN1
SCHEMBL4686670 0.75 SRD5A2 (0.71) POLBMAPK1LMNAHTTL3MBTL1

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
EP-1102755-B1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORP (US) 2006-01-04 EP disclosed
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 US disclosed
US-6743815-B2 OSTEOPOROSIS; ENDOMETRIOSIS; ALZHEIMER'S DISEASE CHIRON CORPORATION 2004-06-01 US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 US disclosed
US-20030065012-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2003-04-03 US disclosed
US-6387920-B2 ISOXAZOLE COMPOUNDS; FOR TREATING ESTROGEN RECEPTOR-MEDIATED DISORDERS SUCH AS OSTEOPOROSIS, BREAST AND ENDOMETRIAL CANCERS, ATHEROSCLEROSIS, ALZHEIMER'S DISEASE CHIRON CORPORATION 2002-05-14 US disclosed
US-20010036956-A1 Estrogen receptor modulators HUEBNER VERENA D (US) 2001-11-01 US disclosed
US-6262098-B1 ISOXAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-07-17 US disclosed
EP-1102755-A1 SUBSTITUTED ISOXAZOLE DERIVATIVES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000008001-A1 SUBSTITUTED ISOXAZOLE AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 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 (3 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-20010036956-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 POLB 3814/4885MAPK1 3143/4885LMNA 3314/4885
US-20030065012-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 POLB 3814/4885MAPK1 3143/4885LMNA 3314/4885
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 POLB 1948/4885MAPK1 2431/4885LMNA 1476/4885

“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.