SCHEMBL14402

SCHEMBL14402

COc1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.57
AKR1C2 P52895 2/20 0.57
MAPT P10636 8/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
HCAR3 P49019 1/20 0.51
HPGD P15428 2/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL18995964 0.91 MAPT (0.54) AKR1C3AKR1C2MAPTKMT2AMEN1
SCHEMBL6044296 0.91 MAPT (0.69) AKR1C3AKR1C2MAPTKMT2AMEN1
SCHEMBL12004226 0.91 MAPT (0.56) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL12061579 0.88 MAPT (0.54) AKR1C3AKR1C2MAPTKMT2AMEN1
SCHEMBL9725390 0.86 MAPT (0.56) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL9822953 0.85 KMT2A (0.59) AKR1C3AKR1C2MAPTKMT2AMEN1
SCHEMBL9681394 0.81 MAPT (0.74) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL28808881 0.81 MAPT (0.57) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL9683146 0.81 MAPT (0.57) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL5476932 0.81 FFAR1 (0.59) MAPTKMT2AMEN1CRHBPCRHR2

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-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 US disclosed
US-8563543-B2 Iminothiadiazine dioxide compounds as bace inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-10-22 US disclosed
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2012-07-26 US disclosed
WO-2011044187-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2011-04-14 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-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT AKR1C3 444/4885AKR1C2 764/4885MAPT 2452/4885
US-20120189642-A1 IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, BACE2 AKR1C3 819/4885AKR1C2 1805/4885MAPT 6/4885

“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.