SCHEMBL4444121

SCHEMBL4444121

O=C(O)c1ccncc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 6/20 0.52
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KDM6B O15054 2/20 0.52
KDM4D Q6B0I6 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4A O75164 1/20 0.52
THRB P10828 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.46
DTYMK P23919 1/20 0.45
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 1/20 0.43
NCOA1 Q15788 1/20 0.43

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
SCHEMBL1231890 1.00 KDM4C (0.52) KDM4CALDH1A1KMT2AKDM4EMEN1
SCHEMBL6221966 0.87 DTYMK (0.50) KDM4CALDH1A1KMT2AKDM4EMEN1
SCHEMBL12672297 0.84 HTT (0.45) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL11718666 0.84 TDP1 (0.49) KDM4CALDH1A1KMT2AKDM4EMEN1
SCHEMBL1229622 0.80 HTT (0.49) KDM4CALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL12672298 0.80 GSK3B (0.44) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL318319 0.80 HTT (0.42) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL2747914 0.80 ALDH1A1 (0.57) ALDH1A1KMT2AKDM4EMAPTL3MBTL1
SCHEMBL11722037 0.80 KMT2A (0.47) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL27699031 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420919-A Metal organic framework material with trivalent boron blocked Lewis acid-base pair with fixed structures at two ends, preparation method and application thereof 武汉大学 2024-08-02 CN claimed
CN-115557886-A Synthetic method of 3-nitroisonicotinic acid methyl ester 山西永津集团有限公司 2023-01-03 CN claimed
WO-2025202010-A1 USE OF A COMPOSITION AND A PROCESS FOR SELECTIVELY ETCHING SILICON BASF SE (DE) 2025-10-02 WO disclosed
CN-118420919-A Metal organic framework material with trivalent boron blocked Lewis acid-base pair with fixed structures at two ends, preparation method and application thereof 武汉大学 2024-08-02 CN disclosed
CN-115650906-A Preparation method of 2-aminoisonicotinic acid 苏州艾缇克药物化学有限公司 2023-01-31 CN disclosed
CN-115557886-A Synthetic method of 3-nitroisonicotinic acid methyl ester 山西永津集团有限公司 2023-01-03 CN disclosed
CN-115557886-A Synthetic method of 3-nitroisonicotinic acid methyl ester 山西永津集团有限公司 2023-01-03 CN disclosed
US-8586623-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-11-19 US disclosed
US-8518943-B2 2-oxo-1-pyrrolidine derivatives, processes for preparing them and their uses UCB PHARMA, S.A. (BE) 2013-08-27 US disclosed
US-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-23 US disclosed
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses UCB PHARMA, S.A. (BE) 2012-08-02 US disclosed
US-8183241-B2 2-oxo-1-pyrrolidine derivatives UCB PHARMA, S.A. (BE) 2012-05-22 US disclosed
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES UCB, S.A. (BE) 2009-06-18 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 (3 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-20120214815-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 KDM4C 1614/4885ALDH1A1 560/4885KMT2A 3901/4885
US-20120196866-A1 2-Oxo-1-Pyrrolidine Derivatives, Processes for Preparing Them and Their Uses CYP3A4, CYP1B1, CYP2D6 KDM4C 1614/4885ALDH1A1 560/4885KMT2A 3901/4885
US-20090156607-A1 2-OXO-1-PYRROLIDINE DERIVATIVES OPRD1, PPOX, CYP2D6 KDM4C 1773/4885ALDH1A1 447/4885KMT2A 3761/4885

“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.