SCHEMBL4022570

SCHEMBL4022570

O=C(ON1C(=O)CNNC1=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 9/20 0.39
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
CHRNA7 P36544 1/20 0.35
HIF1A Q16665 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL4020526 0.84 F2 (0.42) F2LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL4025016 0.78 LMNA (0.47) F2LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL133554 0.76 KMT2A (0.53) F2LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL19309377 0.76 KMT2A (0.53) F2LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL4023620 0.75 KMT2A (0.40) F2LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL4021102 0.75 KMT2A (0.42) F2LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL4024104 0.73 F2 (0.45) F2LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL4026599 0.73 F2 (0.45) F2LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL15169078 0.71 KMT2A (0.48) F2LMNAKMT2ATSHRSMN1; SMN2
SCHEMBL76714 0.71 KMT2A (0.48) F2LMNAKMT2ATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524986-B2 Methods for producing aromatic carboxylic acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-28 US disclosed
US-20070191634-A1 Methods for producing aromatic carboxylic acids DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-08-16 US disclosed
EP-1734029-A1 PROCESS FOR PRODUCING AROMATIC CARBOXYLIC ACID Daicel Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
EP-1342715-B1 Process for producing oximes using nitirites DAICEL CHEM (JP) 2006-09-13 EP disclosed
US-6768023-B2 REACTING AN ESTER OR SALT OF NITROUS ACID WITH A COMPOUND THAT GENERATES A FREE RADICAL IN THE PRESENCE OF A NITROGEN CONTAINING CYCLIC COMPOUND CONTAINING AN N-OXY OR -HYDROXY IMIDE GROUP; FORMING OXIMES, NITRO COMPOUNDS, AND KETONES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-07-27 US disclosed
US-20030171618-A1 Process for producing organic compounds using nitrites DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-11 US disclosed
EP-1342715-A2 Process for producing oximes using nitirites Daicel Chemical Industries, Ltd. (JP) 2003-09-10 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 (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-20030171618-A1 Process for producing organic compounds using nitrites NOS1, NOS2, NOS3 F2 1189/4885LMNA 2540/4885KMT2A 3719/4885
US-20070191634-A1 Methods for producing aromatic carboxylic acids PAH, AHR, HAO2 F2 515/4885LMNA 3635/4885KMT2A 1551/4885

“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.