SCHEMBL2742574

SCHEMBL2742574

COc1ccc(CCN)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.61
LMNA P02545 3/20 0.61
GAA P10253 1/20 0.61
HTT P42858 1/20 0.61
KDM4E B2RXH2 1/20 0.60
ATM Q13315 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.55
MEN1 O00255 1/20 0.54
APEX1 P27695 1/20 0.54
KMT2A Q03164 1/20 0.54
TAAR1 Q96RJ0 2/20 0.53
MAPK1 P28482 1/20 0.53
PKM P14618 1/20 0.52
GLA P06280 1/20 0.51
GFER P55789 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL31090163 0.90 SMN1; SMN2 (0.61) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL20718833 0.90 ALDH1A1 (0.54) ALDH1A1LMNAGAAHTTKDM4E
SCHEMBL10410570 0.88 KDM4E (0.60) ALDH1A1LMNAGAAHTTKDM4E
SCHEMBL4977602 0.87 ALDH1A1 (0.60) ALDH1A1LMNAGAAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL11873461 0.86 ALDH1A1 (0.63) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL8973887 0.86 SMN1; SMN2 (0.57) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL8867003 0.86 SMN1; SMN2 (0.57) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL7317606 0.84 SMN1; SMN2 (0.59) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL8867007 0.84 SMN1; SMN2 (0.67) ALDH1A1LMNAGAAHTTSMN1; SMN2
SCHEMBL30135880 0.84 SMN1; SMN2 (0.59) ALDH1A1LMNAGAAHTTSMN1; SMN2

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-3441389-B1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2021-09-08 EP disclosed
CN-109311865-B Pyrazole-oxazolidinone compound for resisting hepatitis B virus 上海挚盟医药科技有限公司 2021-08-31 CN disclosed
US-20190152963-A1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS SHANGHAI ZHIMENG BIOPHARMA, INC. (CN) 2019-05-23 US disclosed
EP-3441389-A1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS Shanghai Zhimeng Biopharma Co., Ltd (CN) 2019-02-13 EP disclosed
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-26 US disclosed
WO-2016167511-A2 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2016-10-20 WO disclosed
US-8710071-B2 Compounds, compositions and methods for reducing lipid levels CVI PHARMACEUTICALS LIMITED (KY) 2014-04-29 US disclosed
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2012-01-05 US disclosed
US-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same CVI PHARMACEUTICALS LIMITED (KY) 2011-01-13 US 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 (4 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-20110009628-A1 Compounds and Compositions for Modulating Lipid Levels and Methods of Preparing Same LIPC, LDLR, PCSK9 ALDH1A1 3512/4885LMNA 387/4885GAA 518/4885
US-20190152963-A1 PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS HAVCR2, ZC3HAV1, ZC3HAV1L ALDH1A1 795/4885LMNA 3781/4885GAA 3206/4885
US-20180111905-A1 N2-(2-METHOXYPHENYL)PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR CANCER PREVENTION OR TREATMENT CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 ALDH1A1 1803/4885LMNA 744/4885GAA 3276/4885
US-20120004223-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS LIPC, LDLR, PCSK9 ALDH1A1 2335/4885LMNA 779/4885GAA 354/4885

“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.