SCHEMBL15941603

SCHEMBL15941603

O=C(O)c1cccc(OCCCCO[N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
NR4A2 P43354 4/20 0.54
PLA2G4B P0C869 1/20 0.53
KDM4E B2RXH2 1/20 0.52
NR1H4 Q96RI1 3/20 0.51
POLB P06746 1/20 0.49
TBXAS1 P24557 1/20 0.49
PRSS1 P07477 1/20 0.49
AKR1C3 P42330 1/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8957369 0.94 KMT2A (0.61) KMT2ANR4A2PLA2G4BKDM4ENR1H4
SCHEMBL9803295 0.86 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL4509654 0.84 KMT2A (0.77) KMT2ANR4A2PLA2G4BNR1H4PRSS1
SCHEMBL15941568 0.83 TP53 (0.59) PLA2G4BHTT
SCHEMBL30167982 0.82 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL10787479 0.82 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL9402647 0.81 KMT2A (0.73) KMT2ANR4A2PLA2G4BNR1H4PRSS1
SCHEMBL3026943 0.80 CA12 (0.59) PLA2G4BHTT
SCHEMBL9337589 0.80 KMT2A (0.71) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL6932542 0.79 KMT2A (0.75) KMT2ANR4A2PLA2G4BNR1H4POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2015-12-31 US disclosed
EP-2953627-A1 NSAIDs DERIVATIVES AND USES THEREOF The Research Foundation of the City University of New York (US) 2015-12-16 EP disclosed
WO-2014124208-A1 NSAIDs DERIVATIVES AND USES THEREOF THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-14 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 (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-10023555-B2 NSAIDs derivatives and uses thereof PTGES, PTGES3, PTGS1 KMT2A 4527/4885NR4A2 1463/4885PLA2G4B 313/4885
US-20150376162-A1 NSAIDs DERIVATIVES AND USES THEREOF PTGES, PTGES3, PTGS1 KMT2A 4527/4885NR4A2 1463/4885PLA2G4B 313/4885

“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.