SCHEMBL9640545

SCHEMBL9640545

COc1cc(OC)nc(NC(C)=O)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 1.00
SMN1; SMN2 Q16637 2/20 0.55
MAPT P10636 2/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
ADORA3 P0DMS8 3/20 0.48
ADORA1 P30542 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
HTT P42858 1/20 0.44

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
SCHEMBL15305693 0.89 CYP1A2 (0.80) CYP1A2SMN1; SMN2MAPTTP53GLA
SCHEMBL8431787 0.86 CYP1A2 (0.75) CYP1A2SMN1; SMN2MAPTTP53GLA
SCHEMBL3791688 0.84 CYP1A2 (0.72) CYP1A2SMN1; SMN2MAPTTP53GLA
SCHEMBL2702801 0.84 CYP1A2 (0.72) CYP1A2SMN1; SMN2MAPTTP53GLA
SCHEMBL2775380 0.82 CYP1A2 (0.70) CYP1A2SMN1; SMN2MAPTTP53GLA
SCHEMBL2703472 0.82 CYP1A2 (0.70) CYP1A2SMN1; SMN2MAPTTP53GLA
SCHEMBL8303247 0.82 CYP1A2 (0.70) CYP1A2SMN1; SMN2MAPTTP53GLA
SCHEMBL8324577 0.81 CYP1A2 (0.68) CYP1A2SMN1; SMN2MAPTTP53GLA
SCHEMBL12719643 0.81 CYP1A2 (0.68) CYP1A2SMN1; SMN2MAPTTP53GLA
SCHEMBL9696374 0.79 CYP1A2 (0.66) CYP1A2SMN1; SMN2MAPTTP53GLA

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-10779540-B2 Benzamide compounds and their use as herbicides BASF SE (DE) 2020-09-22 US disclosed
EP-3390372-B1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2020-06-03 EP disclosed
WO-2017102275-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-06-22 WO disclosed
EP-0279366-B1 PROCESS FOR THE PREPARATION OF PYRIMIDINES HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-12 EP disclosed
US-4960887-A REACTING PROPANEDIIMIDATE WITH CARBONIC ACID IMINEDERIVATIVE HOECHST AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0279366-A2 Process for the preparation of pyrimidines HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-24 EP 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-10779540-B2 Benzamide compounds and their use as herbicides DDT, DNPH1, BBOX1 CYP1A2 46/4885SMN1; SMN2 3108/4885MAPT 3277/4885

“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.