SCHEMBL2760410

SCHEMBL2760410

Cc1nn(C)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MITF O75030 1/20 0.42
PKM P14618 1/20 0.41
CHEK1 O14757 1/20 0.41
DAPK3 O43293 1/20 0.41
GRK5 P34947 1/20 0.41
LIMK1 P53667 1/20 0.41
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6966179 0.79 MAPT (0.41) MAPTALDH1A1POLBL3MBTL1PKM
SCHEMBL4561815 0.79 NOS1 (0.49) MAPTALDH1A1POLBL3MBTL1PKM
SCHEMBL8920036 0.78 MAPT (0.47) MAPTALDH1A1POLBL3MBTL1MITF
SCHEMBL12335522 0.78 ALDH1A1 (0.47) MAPTALDH1A1POLBL3MBTL1MITF
SCHEMBL30137920 0.78 MAPT (0.51) MAPTALDH1A1POLBL3MBTL1MITF
SCHEMBL7516830 0.78 L3MBTL1 (0.40) MAPTPOLBL3MBTL1MITFLMNA
SCHEMBL14401140 0.77 MAPT (0.46) MAPTALDH1A1POLBL3MBTL1MITF
SCHEMBL18418877 0.77 MAPT (0.50) MAPTALDH1A1POLBL3MBTL1MITF
SCHEMBL2067197 0.77 L3MBTL1 (0.47) MAPTALDH1A1POLBL3MBTL1MITF
SCHEMBL16698871 0.77 MAPT (0.46) MAPTALDH1A1POLBL3MBTL1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106674116-A 4-amino-1,3-dimethyl pyrazol and compound method for pharmaceutical acceptable salt thereof 苏州汉德创宏生化科技有限公司 2017-05-17 CN claimed
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF NEURON23, INC. 2024-07-11 US disclosed
CN-116891437-A Amino acid derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2023-10-17 CN disclosed
EP-4153570-A1 AZETIDINE CYCLIC UREAS Sironax Ltd. (KY) 2023-03-29 EP disclosed
EP-4153582-A1 PIPERAZINE CYCLIC UREAS Sironax Ltd. (KY) 2023-03-29 EP disclosed
CN-112654605-B Bridged heterocyclic group substituted pyrimidine compound and preparation method and medical application thereof 中国医药研究开发中心有限公司 2022-11-22 CN disclosed
US-20220348572-A1 BRIDGED HETEROCYCLYL-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd. (CN) 2022-11-03 US disclosed
CN-111484482-B Alkynyl pyrimidine or alkynyl pyridine compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-06-21 CN disclosed
EP-4011865-A1 BRIDGED HETEROCYCLYL-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF The National Institutes of Pharmaceutical R&D Co., Ltd (CN) 2022-06-15 EP disclosed
CN-113912542-A Method for directly ammoniating nitro nitrogen heterocyclic compound 南京理工大学 2022-01-11 CN disclosed
US-6946462-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2005-09-20 US disclosed
US-6869953-B2 N-monoacylated derivatives of o-phenylenediamines, their analogs and their use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2005-03-22 US disclosed
WO-2004043417-A2 COMPOSITION FOR DYEING KERATIN FIBRES CONTAINING A DYE PRECURSOR AND AN ENZYME WITH NITROREDUCTASE ACTIVITY L'OREAL (FR) 2004-05-27 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
CN-1344255-A Novel cationic oxidation bases, their use for dyeing keratin fibres, dyeing compsns. and dyeing methods OREAL (FR) 2002-04-10 CN disclosed
EP-0749433-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1996-12-27 EP disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 US disclosed
US-5389660-A Hypotensive agents MERCK & CO., INC. (US) 1995-02-14 US disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 US disclosed
US-5164407-A Hypotensive agents MERCK & CO., INC. (US) 1992-11-17 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 (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-20220348572-A1 BRIDGED HETEROCYCLYL-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF TYK2, JAK1, JAK2 MAPT 3395/4885ALDH1A1 2694/4885POLB 1999/4885
US-20240228493-A1 LRRK2 INHIBITORS AND USES THEREOF LRRK2, PINK1, PARK7 MAPT 151/4885ALDH1A1 4316/4885POLB 2356/4885

“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.