SCHEMBL224170

SCHEMBL224170

COc1ccc2cc(-c3ccncc3[N+](=O)[O-])ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.59
CYP11B1 P15538 11/20 0.59
CYP1A2 P05177 4/20 0.58
CYP3A4 P08684 4/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP17A1 P05093 3/20 0.51
CYP19A1 P11511 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
GSTP1 P09211 1/20 0.50
SLC22A12 Q96S37 1/20 0.49
CYP2B6 P20813 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
PTGS2 P35354 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1763313 0.88 GAA (0.60) CYP11B2CYP11B1GAAHTTSLC22A12
SCHEMBL225789 0.83 GSTP1 (0.58) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL5918060 0.81 PTAFR (0.50) GAAHTTNPC1RAB9AMAPT
SCHEMBL227679 0.81 PTGS2 (0.58) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL17541489 0.79 KMT2A (0.52) GAAHTTMAPT
SCHEMBL229065 0.77 CYP1A2 (0.50) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL225893 0.76 CYP11B2 (0.78) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL6361814 0.76 GSTP1 (0.49) CYP1A2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL10558720 0.75 MAPT (0.59) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL11908199 0.74 RPS6KA3 (0.43) CYP3A4GAAHTTSLC22A12NPC1

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 CYP11B2 363/4885CYP11B1 195/4885CYP1A2 1193/4885
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 CYP11B2 1251/4885CYP11B1 958/4885CYP1A2 3203/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 CYP11B2 378/4885CYP11B1 214/4885CYP1A2 992/4885

“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.