SCHEMBL227098

SCHEMBL227098

O=[N+]([O-])c1ccc(COc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.71
RAB9A P51151 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA7 P43166 1/20 0.65
CA9 Q16790 1/20 0.65
MAOB P27338 3/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
PLA2G4B P0C869 1/20 0.61
MAOA P21397 1/20 0.61
IDO1 P14902 1/20 0.58
LMNA P02545 1/20 0.57
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56

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
SCHEMBL2081746 0.93 MAPT (0.71) MAPTRAB9ANPSR1CA12CA1
SCHEMBL28621039 0.91 CA12 (0.76) MAPTRAB9ANPSR1CA12CA1
SCHEMBL6733709 0.88 MAPT (0.66) MAPTRAB9ANPSR1CA12CA1
Acetonitrile SCHEMBL27544819 0.84 MAPT (0.61) MAPTCA12CA1CA2CA7
SCHEMBL1180655 0.84 MAPT (0.69) MAPTCA12CA1CA2CA7
SCHEMBL8721905 0.84 MEN1 (0.64) MAPTCA12CA1CA2CA7
SCHEMBL25920598 0.84 MAPT (0.62) MAPTRAB9AMAOBMEN1KMT2A
SCHEMBL8948956 0.84 CA12 (0.68) MAPTRAB9ANPSR1CA12CA1
SCHEMBL8948959 0.84 MAOB (0.70) MAPTRAB9ANPSR1CA12CA1
SCHEMBL9687632 0.84 MAPT (0.67) MAPTRAB9ANPSR1CA12CA1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110922305-A Synthetic method of dapagliflozin intermediate 5-bromo-2-chloro-4' -ethoxy diphenylmethane 南京正济医药研究有限公司 2020-03-27 CN claimed
CN-111072502-B Method for preparing aniline compound by continuous hydrogenation of fixed bed 大连奇凯医药科技有限公司 2022-11-15 CN disclosed
CN-111072502-A Method for preparing aniline compound by continuous hydrogenation of fixed bed 大连奇凯医药科技有限公司 2020-04-28 CN disclosed
CN-110922305-A Synthetic method of dapagliflozin intermediate 5-bromo-2-chloro-4' -ethoxy diphenylmethane 南京正济医药研究有限公司 2020-03-27 CN disclosed
CN-110922305-A Synthetic method of dapagliflozin intermediate 5-bromo-2-chloro-4' -ethoxy diphenylmethane 南京正济医药研究有限公司 2020-03-27 CN disclosed
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-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 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-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-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
EP-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed
WO-1996009294-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-28 WO disclosed
EP-0664316-A1 Polycarbonate composition having improved resistance to gamma-ray radiation TEIJIN LIMITED (JP) 1995-07-26 EP disclosed
EP-0044536-A1 Plant growth regulators and their use J.T. Baker Chemical Co. (US) 1982-01-27 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 (2 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 MAPT 3989/4885RAB9A 2404/4885NPSR1 682/4885
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 MAPT 2593/4885RAB9A 1076/4885NPSR1 2906/4885

“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.