SCHEMBL2814601

SCHEMBL2814601

CC(C)(C(N)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
TSHR P16473 1/20 0.53
NOS1 P29475 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.47
CES1 P23141 1/20 0.47
HSD11B1 P28845 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
PLAU P00749 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACHE P22303 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL10886554 0.84 TSHR (0.52) TSHRNOS1LMNAGAAMAPK1
SCHEMBL1647740 0.83 MAPK1 (0.55) MAPTKMT2ATSHRNOS1MAPK1
SCHEMBL1646651 0.83 TDP1 (0.52) KMT2ATSHRLMNAMAPK1ALDH1A1
SCHEMBL27030782 0.81 ALDH1A1 (0.53) MAPTKMT2ATSHRMAPK1ALDH1A1
SCHEMBL27932154 0.81 TSHR (0.57) TSHRNOS1LMNAGAAMAPK1
SCHEMBL27796885 0.81 ALDH1A1 (0.48) MAPTKMT2ATSHRLMNAMAPK1
SCHEMBL1644927 0.80 PTPRC (0.57) MAPTKMT2ATSHRLMNAALDH1A1
SCHEMBL5674580 0.80 POLB (0.54) MAPTTSHRNOS1LMNAGAA
SCHEMBL31303067 0.80 PTPRC (0.57) MAPTKMT2ATSHRLMNAALDH1A1
SCHEMBL4800395 0.80 CYP19A1 (0.49) MAPTKMT2ATSHRNOS1LMNA

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246984-A1 HETEROCYCLIC JAK INHIBITOR BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2024-07-25 US disclosed
EP-4310088-A1 HETEROCYCLIC JAK INHIBITOR Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2024-01-24 EP disclosed
EP-4310088-A1 HETEROCYCLIC JAK INHIBITOR Beijing InnoCare Pharma Tech Co., Ltd. (CN) 2024-01-24 EP disclosed
CN-113614087-B WEE1 inhibitor and preparation and application thereof 首药控股(北京)股份有限公司 2023-06-02 CN disclosed
CN-113336760-B Substituted amide derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2022-11-04 CN disclosed
WO-2022127869-A1 HETEROCYCLIC JAK INHIBITOR 北京诺诚健华医药科技有限公司 2022-06-23 WO disclosed
CN-114644633-A Heterocyclic JAK inhibitors 北京诺诚健华医药科技有限公司 2022-06-21 CN disclosed
CN-113620821-A Preparation method of hordenine hydrochloride 广汉市派瑞林科技有限责任公司 2021-11-09 CN disclosed
CN-113614087-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)股份有限公司 2021-11-05 CN disclosed
CN-113336760-A Substituted amide derivatives, compositions and uses thereof 深圳市塔吉瑞生物医药有限公司 2021-09-03 CN disclosed
CN-108349981-B Novel pyrazolo [3, 4-d ] pyrimidine compound or salt thereof 大鹏药品工业株式会社 2021-03-30 CN disclosed
CN-111718348-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)有限公司 2020-09-29 CN disclosed
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
US-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 US disclosed
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN disclosed
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG MAPT 4813/4885KMT2A 1767/4885TSHR 19/4885
US-20240246984-A1 HETEROCYCLIC JAK INHIBITOR JAK2, JAK1, JAK3 MAPT 3646/4885KMT2A 562/4885TSHR 1916/4885

“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.