SCHEMBL2824822

SCHEMBL2824822

O=CNc1cc(C(=O)O)c([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.44
MAPT P10636 4/20 0.42
AKR1C2 P52895 3/20 0.40
AKR1C3 P42330 2/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CDC25B P30305 1/20 0.39
HCAR3 P49019 3/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
KDM5A P29375 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
CASP6 P55212 1/20 0.38
AKR1C1 Q04828 1/20 0.37

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
SCHEMBL2824819 1.00 DTYMK (0.44) DTYMKMAPTAKR1C2AKR1C3CTSV
SCHEMBL4640311 0.86 TSHR (0.42) DTYMKMAPTAKR1C2AKR1C3CDC25B
SCHEMBL7631598 0.81 KDM5A (0.43) DTYMKMAPTAKR1C2AKR1C3CDC25B
SCHEMBL11697530 0.80 DTYMK (0.60) DTYMKMAPTHCAR3ALDH1A1TSHR
SCHEMBL2828190 0.80 PDGFRB (0.46) MAPTALDH1A1KDM4EPOLB
SCHEMBL29109409 0.80 MAPT (0.59) DTYMKMAPTAKR1C2AKR1C3CTSV
SCHEMBL11317819 0.77 DTYMK (0.56) DTYMKMAPTHCAR3ALDH1A1TSHR
SCHEMBL11241523 0.77 DTYMK (0.56) DTYMKMAPTCDC25BHCAR3ALDH1A1
SCHEMBL28059510 0.76 ALDH1A1 (0.55) MAPTAKR1C2AKR1C3CTSVCTSL
SCHEMBL30775472 0.74 DTYMK (0.58) DTYMKMAPTHCAR3ALDH1A1TSHR

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-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-10-21 US disclosed
EP-2195303-A2 3-SUBSTITUTED 1,2,3-TRIAZIN-4-ONE'S AND 3-SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2010-06-16 EP disclosed
WO-2009038752-A2 3-SUBSTITUTED 1,2,3-TRIAZIN-4-ONE'S AND 3-SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES CORTEX PHARMACEUTICALS, INC. (US) 2009-03-26 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 (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-20100267728-A1 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES GRIN3A, OPRK1, CHRNA3 DTYMK 3304/4885MAPT 217/4885AKR1C2 3649/4885

“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.