SCHEMBL10320671

SCHEMBL10320671

COc1cc([N+](=O)[O-])c(C=O)cc1OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.68
ALDH1A1 P00352 7/20 0.68
KDM4E B2RXH2 2/20 0.68
CYP3A4 P08684 1/20 0.68
ALOX15 P16050 1/20 0.68
PRKDC P78527 1/20 0.68
HSD17B10 Q99714 1/20 0.68
HPGD P15428 4/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HTR1A P08908 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ERN1 O75460 2/20 0.49
HTT P42858 1/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL158285 1.00 MAPT (0.68) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL16052466 0.94 MAPT (0.60) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL4891360 0.94 MAPT (0.55) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL21352658 0.93 ALDH1A1 (0.68) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL1609308 0.90 ALDH1A1 (0.52) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL15984634 0.88 MAPT (0.54) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL9738690 0.87 MAPT (0.49) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL15952707 0.87 MAPT (0.53) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL187778 0.87 MAPT (0.53) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL187779 0.87 MAPT (0.53) MAPTALDH1A1KDM4ECYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116964044-A Acetamido-phenyltetrazole derivatives and methods of use thereof 希华医药有限公司 2023-10-27 CN disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
WO-2012098070-A1 QUINOLINE DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES DOMINIQUE ROMYR (US) 2012-07-19 US disclosed
US-4134981-A ANTIALLERGENS PFIZER INC. (US) 1979-01-16 US disclosed
US-4120962-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1978-10-17 US disclosed
US-4044134-A FUSED WITH QUINOLINE OR PYRIDINE, 2-METHYL, ETHYL, OR ACETYL GROUP PFIZER INC. (US) 1977-08-23 US disclosed
US-3974161-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1976-08-10 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 (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-20120184548-A1 CARBOXYLIC ACID ARYL AMIDES GOT1, PPARG, PPARA MAPT 2081/4885ALDH1A1 62/4885KDM4E 1393/4885

“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.