SCHEMBL6403079

SCHEMBL6403079

CCOC(=O)c1ccc(OCCCCl)c(OC)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
PKM P14618 1/20 0.40
TNF P01375 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.37
LMNA P02545 3/20 0.37
DPP4 P27487 1/20 0.37
POLB P06746 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GALR2 O43603 1/20 0.36
MITF O75030 1/20 0.36

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
SCHEMBL28114768 0.86 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2PKMMEN1
SCHEMBL4044992 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL6403076 0.81 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2PKMMEN1
SCHEMBL7433773 0.76 PKM (0.46) ALDH1A1MAPTSMN1; SMN2PKMMEN1
SCHEMBL23925361 0.76 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2PKMMEN1
SCHEMBL13168044 0.75 PKM (0.50) ALDH1A1MAPTSMN1; SMN2PKMMEN1
SCHEMBL15440632 0.75 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2PKMMEN1
SCHEMBL28506852 0.75 PKM (0.48) ALDH1A1MAPTSMN1; SMN2PKMMEN1
SCHEMBL4314516 0.74 MEN1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3473414 0.73 PKM (0.59) ALDH1A1MAPTSMN1; SMN2PKMTNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367824-B2 Reacting anthranilic acid with formic acid compound in presence of a catalyst and solvent UBE INDUSTRIES LTD. (JP) 2013-02-05 US disclosed
US-20050080262-A1 Process for producing quinazolin-4-one derivative UBE INDUSTRIES, LTD. (JP) 2005-04-14 US disclosed
EP-1477481-A1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE Ube Industries, Ltd. (JP) 2004-11-17 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-20050080262-A1 Process for producing quinazolin-4-one derivative NQO2, SDHA, CYP3A4 ALDH1A1 477/4885MAPT 4602/4885SMN1; SMN2 4781/4885

“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.