SCHEMBL296106

SCHEMBL296106

O=[N+]([O-])c1nccn1C(CO)CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
THRB P10828 2/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 3/20 0.43
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
OPRK1 P41145 1/20 0.38
TYMP P19971 3/20 0.38
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
NOS1 P29475 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL6275195 0.77 LMNA (0.41) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL15570602 0.77 CA1 (0.42) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL28818918 0.77 KMT2A (0.48) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL2360743 0.77 KMT2A (0.43) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL3131540 0.75 KMT2A (0.41) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL11107422 0.75 LMNA (0.43) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL9060085 0.74 KMT2A (0.43) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL6349798 0.74 LMNA (0.39) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL15570666 0.74 CA12 (0.45) LMNATHRBCYP2C19KMT2ACA12
SCHEMBL5315502 0.73 LMNA (0.38) LMNATHRBCYP2C19KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113387927-B Nitroimidazole derivative for preparing hypoxia imaging agent and preparation method and application thereof 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) 2022-10-04 CN disclosed
CN-113387927-A Nitroimidazole derivative for preparing hypoxia imaging agent and preparation method and application thereof 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) 2021-09-14 CN disclosed
EP-2128140-B1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE POLA PHARMA INC (JP) 2012-03-14 EP disclosed
US-8030338-B2 Method for producing 2-nitroimidazole derivative POLA PHARMA INC. (JP) 2011-10-04 US disclosed
US-20100004460-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE POLA PHARMA INC (JP) 2010-01-07 US disclosed
EP-2128140-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE Pola Pharma Inc. (JP) 2009-12-02 EP 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 (1 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-20100004460-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE GALK1, HOGA1, DERA LMNA 2553/4885THRB 3406/4885CYP2C19 745/4885

“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.