SCHEMBL21059249

SCHEMBL21059249

CCCCCOC(=O)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
MEN1 O00255 4/20 0.55
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPK1 P28482 2/20 0.48
XBP1 P17861 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 2/20 0.48
ESR1 P03372 1/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL21059226 0.99 KMT2A (0.58) KMT2ATP53SMN1; SMN2CYP1A2CYP2C19
SCHEMBL21059235 0.96 KMT2A (0.61) KMT2ATP53SMN1; SMN2CYP1A2CYP2C19
SCHEMBL21059154 0.91 KMT2A (0.67) KMT2ATP53SMN1; SMN2CYP1A2CYP2C19
SCHEMBL3056846 0.86 KMT2A (0.54) KMT2ATP53SMN1; SMN2MEN1ALDH1A1
SCHEMBL6535747 0.85 KMT2A (0.62) KMT2ATP53SMN1; SMN2MEN1ALDH1A1
SCHEMBL7799197 0.85 ALDH1A1 (0.57) KMT2ASMN1; SMN2CYP1A2CYP2C19MEN1
SCHEMBL13290729 0.85 KMT2A (0.52) KMT2ATP53SMN1; SMN2CYP1A2CYP2C19
SCHEMBL8952195 0.82 KMT2A (0.59) KMT2ATP53SMN1; SMN2MEN1ALDH1A1
SCHEMBL3478446 0.82 PLK1 (0.56) KMT2ATP53SMN1; SMN2ALDH1A1MAPT
SCHEMBL28235147 0.80 RAB9A (0.69) KMT2ATP53CYP1A2CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508473-B1 METHOD FOR PRODUCING CARBAMIC ACID ESTER AIST (JP) 2021-05-26 EP disclosed
US-10752579-B2 Production method of carbamic acid ester NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-08-25 US disclosed
EP-3508473-A1 METHOD FOR PRODUCING CARBAMIC ACID ESTER National Institute of Advanced Industrial Science and Technology (JP) 2019-07-10 EP disclosed
US-20190185420-A1 PRODUCTION METHOD OF CARBAMIC ACID ESTER NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2019-06-20 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-20190185420-A1 PRODUCTION METHOD OF CARBAMIC ACID ESTER CA2, CA7, CA4 KMT2A 243/4885TP53 1543/4885SMN1; SMN2 3068/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 KMT2A 243/4885TP53 1543/4885SMN1; SMN2 3068/4885

“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.