SCHEMBL17009986

SCHEMBL17009986

Cn1c(C(=O)OC(C)(C)C)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 7/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRA6 Q16445 1/20 0.44
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
CCR2 P41597 1/20 0.41
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL3062625 0.85 L3MBTL1 (0.63) CYP19A1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL28808278 0.85 MAPT (0.44) CYP19A1MAPTGABRA1GABRG2GABRB3
SCHEMBL29780834 0.85 MAPT (0.44) CYP19A1MAPTGABRA1GABRG2GABRB3
SCHEMBL31383537 0.82 MAPT (0.59) CYP19A1L3MBTL1MAPTLMNAMEN1
SCHEMBL4203356 0.82 MAPT (0.59) CYP19A1L3MBTL1MAPTLMNAMEN1
SCHEMBL15712823 0.81 CCR2 (0.43) CYP19A1MAPTGABRA1GABRG2GABRB3
SCHEMBL3052651 0.81 CYP19A1 (0.59) CYP19A1MAPTALDH1A1LMNACCR2
SCHEMBL16402263 0.80 CYP19A1 (0.55) CYP19A1L3MBTL1MAPTALDH1A1LMNA
SCHEMBL17060361 0.79 CCR2 (0.57) ALDH1A1LMNACCR2
SCHEMBL17009677 0.79 L3MBTL1 (0.50) L3MBTL1MAPTALDH1A1LMNACCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728914-B Dioxopiperazine derivative, preparation method thereof and application thereof in medicines 深圳信立泰药业股份有限公司 2023-05-12 CN disclosed
CN-114728914-A Dioxopiperazine derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
EP-3138839-B1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2020-10-28 EP disclosed
EP-3138839-B1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2020-10-28 EP disclosed
CN-105829298-B A kind of pyridone or pyrimidone derivatives, and its preparation method and application 四川海思科制药有限公司 2019-02-01 CN disclosed
US-10174020-B2 Pyridone or pyrimidone derivative, preparation method therefor and application thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-01-08 US disclosed
US-10174020-B2 Pyridone or pyrimidone derivative, preparation method therefor and application thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2019-01-08 US disclosed
EP-3138839-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2017-03-08 EP disclosed
EP-3138839-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2017-03-08 EP disclosed
US-20170029423-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2017-02-02 US disclosed
US-20170029423-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2017-02-02 US disclosed
US-20170029423-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2017-02-02 US disclosed
CN-105829298-A Pyridone or pyrimidone derivative, preparation method therefor and application thereof 四川海思科制药有限公司 2016-08-03 CN disclosed
WO-2015120777-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 四川海思科制药有限公司 2015-08-20 WO disclosed
WO-2015120777-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 四川海思科制药有限公司 2015-08-20 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-10174020-B2 Pyridone or pyrimidone derivative, preparation method therefor and application thereof TYMP, DHFR, TYMS CYP19A1 319/4885L3MBTL1 4397/4885MAPT 3830/4885
US-20170029423-A1 PYRIDONE OR PYRIMIDONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF TYMP, DHFR, TYMS CYP19A1 319/4885L3MBTL1 4397/4885MAPT 3830/4885

“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.