SCHEMBL19475609

SCHEMBL19475609

O=C(Oc1cccccc1=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
MAPT P10636 3/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CES1 P23141 2/20 0.54
CES2 O00748 1/20 0.54
PKM P14618 1/20 0.52
ALDH1A1 P00352 1/20 0.51
TYMS P04818 1/20 0.51
ALOX5 P09917 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
PTGES O14684 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
APLNR P35414 1/20 0.47
MDM2 Q00987 1/20 0.47
MEN1 O00255 1/20 0.47
HGFAC Q04756 1/20 0.47
HTT P42858 1/20 0.46

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
SCHEMBL11117550 0.83 KMT2A (0.57) KMT2AMAPTSMN1; SMN2CES1CES2
SCHEMBL9644263 0.82 KMT2A (1.00) KMT2AMAPTSMN1; SMN2ALDH1A1TDP1
SCHEMBL2885963 0.81 ALOX5 (0.63) KMT2AMAPTSMN1; SMN2CES1CES2
SCHEMBL5973956 0.81 ALOX5 (0.73) KMT2AMAPTSMN1; SMN2CES1CES2
SCHEMBL10689859 0.81 MAPT (0.58) KMT2AMAPTSMN1; SMN2CES1CES2
SCHEMBL9316017 0.78 KMT2A (0.49) KMT2AMAPTCES1CES2PKM
SCHEMBL9156958 0.78 NR1H4 (0.53) KMT2AMAPTCES1CES2PKM
SCHEMBL21999716 0.78 KMT2A (0.77) KMT2AMAPTSMN1; SMN2CES1CES2
SCHEMBL19509566 0.78 KMT2A (0.77) KMT2AMAPTSMN1; SMN2CES1CES2
SCHEMBL527544 0.78 KMT2A (0.71) KMT2AMAPTSMN1; SMN2CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10980754-B2 Anti-fungal compounds SAINT LOUIS UNIVERSITY (US) 2021-04-20 US disclosed
US-10980754-B2 Anti-fungal compounds SAINT LOUIS UNIVERSITY (US) 2021-04-20 US disclosed
US-20190099385-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2019-04-04 US disclosed
US-20190099385-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2019-04-04 US disclosed
WO-2017184752-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2017-10-26 WO disclosed
WO-2017184752-A1 ANTI-FUNGAL COMPOUNDS SAINT LOUIS UNIVERSITY (US) 2017-10-26 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 (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-20190099385-A1 ANTI-FUNGAL COMPOUNDS ERG28, NANS, DPM1 KMT2A 3839/4885MAPT 3024/4885SMN1; SMN2 3958/4885
US-10980754-B2 Anti-fungal compounds ERG28, NANS, DPM1 KMT2A 3839/4885MAPT 3024/4885SMN1; SMN2 3958/4885

“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.