SCHEMBL228980

SCHEMBL228980

COc1ccc(-c2cc3ccc(OC)cc3s2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
CA2 P00918 1/20 0.45
MAPK1 P28482 2/20 0.44
RAB9A P51151 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
SCD O00767 1/20 0.41
GSK3B P49841 1/20 0.40
APP P05067 2/20 0.40
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6955307 0.90 ERN1 (0.46) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL228385 0.89 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECA2MAPK1
SCHEMBL10340370 0.79 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL3053042 0.78 APP (0.63) ALDH1A1MAPTKDM4ECA2MAPK1
SCHEMBL225021 0.76 APP (0.54) MAPTRAB9AMEN1KMT2APOLB
SCHEMBL226370 0.76 CA2 (0.50) ALDH1A1MAPTKDM4ECA2MEN1
SCHEMBL225789 0.76 GSTP1 (0.58) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL3057920 0.75 PLAU (0.51) MAPTRAB9AMEN1KMT2AAPP
SCHEMBL6955876 0.75 MAPT (0.54) ALDH1A1MAPTKDM4EMAPK1RAB9A
SCHEMBL1681589 0.74 CA2 (0.40) ALDH1A1MAPTCA2MAPK1RAB9A

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 8 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
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 ALDH1A1 1111/4885MAPT 3989/4885KDM4E 708/4885
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 ALDH1A1 2275/4885MAPT 2593/4885KDM4E 577/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885MAPT 3856/4885KDM4E 718/4885

“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.