SCHEMBL22720165

SCHEMBL22720165

O=C(O)c1ccccc1Nc1c(C(=O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
ASPH Q12797 1/20 0.60
KDM8 Q8N371 1/20 0.60
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 4/20 0.59
MAPT P10636 2/20 0.59
GAA P10253 1/20 0.59
AKR1C3 P42330 4/20 0.55
AKR1C2 P52895 4/20 0.55
AKR1B1 P15121 2/20 0.55
AKR1C4 P17516 2/20 0.55
AKR1C1 Q04828 2/20 0.55
MYC P01106 1/20 0.55
AKR1B10 O60218 1/20 0.55
TSHR P16473 1/20 0.54
CLCN2 P51788 1/20 0.54
CTSV O60911 1/20 0.51
CTSL P07711 1/20 0.51
POLB P06746 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
SCHEMBL13652883 0.89 KCNMA1 (0.57) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL20475343 0.89 KDM4E (0.55) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL11192184 0.89 LMNA (0.57) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL15255337 0.89 TSHR (0.56) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL16737157 0.88 MEN1 (0.69) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL13444610 0.87 KDM4E (0.66) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL2293244 0.86 CXCR2 (0.59) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL453183 0.86 AKR1C3 (0.68) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL10865280 0.84 KDM4E (0.51) KDM4EASPHKDM8MEN1KMT2A
SCHEMBL28958554 0.84 MEN1 (0.55) KDM4EASPHKDM8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545651-B2 Diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2026-02-10 US disclosed
US-20220227719-A1 A diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2022-07-21 US disclosed
CN-110229114-B Remove C2-toSymmetric diphenylamine type chiral bisoxazoline ligand and synthetic method and application thereof 浙江工业大学 2021-07-27 CN disclosed
WO-2020238559-A1 DE-C2-SYMMETRIC DIPHENYLAMINE-TYPE CHIRAL BISOXAZOLINE LIGAND, SYNTHESIS METHOD THEREFOR AND USE THEREOF 浙江工业大学 2020-12-03 WO disclosed
CN-110229114-A Remove C2-symmetric diphenylamine type chiral bisoxazoline ligand and synthetic method and application thereof 浙江工业大学 2019-09-13 CN 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-20220227719-A1 A diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof AOC1, AOC2, AOC3 KDM4E 3176/4885ASPH 211/4885KDM8 800/4885
US-12545651-B2 Diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof AOC2, AOC1, AOC3 KDM4E 1193/4885ASPH 543/4885KDM8 480/4885

“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.