SCHEMBL2640285

SCHEMBL2640285

C=CC[CH]c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 3/20 0.47
SOS1 Q07889 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
XDH P47989 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAOB P27338 1/20 0.45
ERN1 O75460 1/20 0.43
BACE1 P56817 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3115667 0.81 ALDH1A1 (0.54) CA12MAPTALDH1A1SOS1MEN1
SCHEMBL125015 0.80 SOS1 (0.56) CA12MAPTALDH1A1SOS1MEN1
SCHEMBL29410319 0.80 SOS1 (0.56) CA12MAPTALDH1A1SOS1MEN1
SCHEMBL28049747 0.79 CA12 (0.51) CA12MAPTALDH1A1SOS1MEN1
SCHEMBL27940186 0.79 CA12 (0.51) CA12MAPTALDH1A1SOS1MEN1
SCHEMBL27798771 0.79 MAPT (0.54) CA12MAPTALDH1A1SOS1MEN1
SCHEMBL11217880 0.77 MAPT (0.51) CA12MAPTALDH1A1SOS1MEN1
Ethylene Glycol SCHEMBL1538616 0.76 MAPT (0.51) CA12MAPTALDH1A1SOS1MEN1
SCHEMBL9153228 0.76 RAB9A (0.55) CA12MAPTALDH1A1SOS1MEN1
SCHEMBL1231746 0.76 ALDH1A1 (0.50) CA12MAPTALDH1A1SOS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922575-B1 TRIOXACARCINS, TRIOXACARCIN-ANTIBODY CONJUGATES, AND USES THEREOF HARVARD COLLEGE (US) 2019-06-26 EP disclosed
EP-3177147-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2017-06-14 EP disclosed
EP-3138831-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF President and Fellows of Harvard College (US) 2017-03-08 EP disclosed
EP-1753713-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2016-07-27 EP disclosed
WO-2016022970-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-02-11 WO disclosed
EP-2922575-A1 TRIOXACARCINS, TRIOXACARCIN-ANTIBODY CONJUGATES, AND USES THEREOF President and Fellows of Harvard College (US) 2015-09-30 EP disclosed
WO-2014082065-A1 TRIOXACARCINS, TRIOXACARCIN-ANTIBODY CONJUGATES, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-05-30 WO disclosed
EP-2726467-A2 MACROCYCLIC INSULIN-DEGRADING ENZYME (IDE) INHIBITORS AND USES THEREOF President and Fellows of Harvard College (US) 2014-05-07 EP disclosed
US-8586020-B2 Poly(organophosphazene) composition for biomaterials KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-11-19 US disclosed
WO-2013006451-A2 MACROCYCLIC INSULIN-DEGRADING ENZYME (IDE) INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-01-10 WO disclosed
EP-2438046-A2 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF President and Fellows of Harvard College (US) 2012-04-11 EP disclosed
WO-2010141074-A2 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-09 WO disclosed
EP-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 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-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA CA12 1466/4885MAPT 4496/4885ALDH1A1 187/4885

“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.