SCHEMBL5899291

SCHEMBL5899291

CN(CCC(=O)O)c1ccc(N=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP14 P50281 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 3/20 0.50
TSHR P16473 3/20 0.50
MAPK1 P28482 2/20 0.50
HIF1A Q16665 2/20 0.50
TP53 P04637 1/20 0.50
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 3/20 0.34
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL27473794 0.98 MMP14 (0.50) MMP14ALDH1A1HSD17B10TSHRMAPK1
Hydrochloric Acid SCHEMBL11503465 0.89 MMP14 (0.61) MMP14ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL61402 0.80 ALDH1A1 (0.55) MMP14ALDH1A1HSD17B10TSHRMAPK1
SCHEMBL13688687 0.80 KMT2A (0.48) MMP14ALDH1A1TSHRKMT2AL3MBTL1
SCHEMBL2637695 0.80 TP53 (0.47) MMP14ALDH1A1TSHRTP53KMT2A
SCHEMBL8943640 0.79 MMP14 (0.43) MMP14ALDH1A1TSHRMAPK1HIF1A
SCHEMBL10906746 0.79 RAB9A (0.52) MMP14ALDH1A1KMT2ANPC1L3MBTL1
SCHEMBL10906239 0.79 HPGD (0.53) MMP14ALDH1A1KMT2ANPC1L3MBTL1
Hydrochloric Acid SCHEMBL6831468 0.78 TP53 (0.46) MMP14ALDH1A1TSHRTP53KMT2A
SCHEMBL10951350 0.77 HPGD (0.52) MMP14ALDH1A1KMT2ANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060240455-A1 OXAZINE DERIVATIVES EVOTEC AG (DE) 2006-10-26 US disclosed
US-7101999-B2 Oxazine derivatives EVOTEC AG (DE) 2006-09-05 US disclosed
EP-1535967-A1 Oxazine derivatives Evotec OAI AG (DE) 2005-06-01 EP disclosed
EP-1317511-B1 OXAZINE DERIVATIVES EVOTEC AG (DE) 2005-01-19 EP disclosed
US-20040029837-A1 Oxazine derivatives EVOTEC AG (DE) 2004-02-12 US disclosed
WO-2003080736-A1 USE OF OXAZINE DYES AS MARKING GROUPS FOR SINGLE MOLECULE ANALYSIS GNOTHIS HOLDING SA (CH) 2003-10-02 WO disclosed
EP-1317511-A1 OXAZINE DERIVATIVES Evotec BioSystems AG (DE) 2003-06-11 EP disclosed
EP-1213328-A1 Oxazine derivatives Evotec OAI AG (DE) 2002-06-12 EP disclosed
WO-2002020670-A1 OXAZINE DERIVATIVES EVOTEC OAI AG (DE) 2002-03-14 WO disclosed
US-5001171-A Process, modified rubbers and rubber compositions BRIDGESTONE/FIRESTONE, INC. (US) 1991-03-19 US disclosed
EP-0319733-A2 Process, modified rubbers and rubber compositions THE FIRESTONE TIRE & RUBBER COMPANY (US) 1989-06-14 EP disclosed
US-4788229-A BLENDING MIXTURES OF UNCURED ELASTOMERS AND FILLERS CONTAINING ELASTOMER-FILLER LINKAGE PROMOTERS; TIRES; FRICTION RESISTANCE; REDUCED HYSTERESIS THE FIRESTONE TIRE & RUBBER COMPANY (US) 1988-11-29 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-20040029837-A1 Oxazine derivatives OXA1L, HELZ, IKZF2 MMP14 950/4885ALDH1A1 156/4885HSD17B10 964/4885
US-20060240455-A1 OXAZINE DERIVATIVES OXA1L, HELZ, SPOP MMP14 638/4885ALDH1A1 116/4885HSD17B10 965/4885

“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.