SCHEMBL227405

SCHEMBL227405

COc1ccc(C2CCN(Cc3ccccc3)C2)c([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
SIGMAR1 Q99720 3/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MCHR1 Q99705 1/20 0.47
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL227230 0.82 MAPK1 (0.58) MAPK1SIGMAR1MEN1KMT2AMAPT
SCHEMBL23507478 0.79 KMT2A (0.64) SIGMAR1MEN1KMT2ADRD2DRD3
SCHEMBL226116 0.79 MAPT (0.51) MAPK1ALDH1A1MEN1KMT2AHTT
SCHEMBL1546481 0.78 HTT (0.56) MAPK1ALDH1A1MEN1KMT2AHTT
SCHEMBL5093064 0.77 KMT2A (0.63) MAPK1SIGMAR1MEN1KMT2AMAPT
SCHEMBL5667366 0.77 CCR5 (0.50) MAPK1SIGMAR1ALDH1A1CYP1A2CYP2C19
SCHEMBL15718813 0.77 ALDH1A1 (0.50) MAPK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6353029 0.77 DRD2 (0.62) SIGMAR1MEN1KMT2AMCHR1DRD2
SCHEMBL22928142 0.77 DRD2 (0.62) SIGMAR1MEN1KMT2AMCHR1DRD2
SCHEMBL6360566 0.75 SIGMAR1 (0.63) SIGMAR1ALDH1A1MEN1KMT2ALMNA

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
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 MAPK1 1484/4885SIGMAR1 778/4885ALDH1A1 1111/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 MAPK1 1633/4885SIGMAR1 2885/4885ALDH1A1 2275/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 MAPK1 1582/4885SIGMAR1 743/4885ALDH1A1 1214/4885

“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.