SCHEMBL2072071

SCHEMBL2072071

CCCOC(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.67
KMT2A Q03164 8/20 0.67
MEN1 O00255 7/20 0.67
LMNA P02545 5/20 0.67
ALOX12 P18054 1/20 0.67
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 3/20 0.60
MAPK1 P28482 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
PKM P14618 1/20 0.56
POLB P06746 2/20 0.56
NPSR1 Q6W5P4 2/20 0.54
HTT P42858 2/20 0.54
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
XBP1 P17861 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL4238027 0.93 MAPT (0.61) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL10944355 0.91 MAPT (0.80) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL8664039 0.90 MAPT (0.74) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL7774620 0.89 MAPT (0.72) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL21059228 0.89 MAPT (0.72) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL7770116 0.89 MAPT (0.72) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL13329845 0.89 MAPT (0.72) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL2071222 0.88 KMT2A (0.63) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL23541512 0.85 MAPT (0.60) MAPTKMT2AMEN1LMNAALOX12
SCHEMBL7562459 0.85 SMN1; SMN2 (0.77) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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 9 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
EP-2376432-A1 NOVEL EICOSANOID DERIVATIVES Max-Delbrück-Centrum für Molekulare Medizin (MDC) (DE) 2011-10-19 EP disclosed
US-7906537-B2 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2011-03-15 US disclosed
US-20060183791-A1 Substituted p-diaminobenzene derivatives H. LUNDBECK A/S (DK) 2006-08-17 US disclosed
EP-1613303-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. Lundbeck A/S (DK) 2006-01-11 EP disclosed
WO-2004082677-A1 SUBSTITUTED P-DIAMINOBENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-30 WO 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-20060183791-A1 Substituted p-diaminobenzene derivatives ABCB1, UGT2B7, CYP2D6 MAPT 3488/4885KMT2A 3706/4885MEN1 1715/4885
US-20190185420-A1 PRODUCTION METHOD OF CARBAMIC ACID ESTER CA2, CA7, CA4 MAPT 2148/4885KMT2A 243/4885MEN1 2437/4885
US-10752579-B2 Production method of carbamic acid ester CA2, CA7, CA4 MAPT 2148/4885KMT2A 243/4885MEN1 2437/4885

“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.