SCHEMBL3028283

SCHEMBL3028283

CNC(=O)COc1ccc(Nc2nnc(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
TP53 P04637 3/20 0.67
GAA P10253 1/20 0.67
THRB P10828 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
POLB P06746 2/20 0.66
KDM4E B2RXH2 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 2/20 0.56
KDR P35968 3/20 0.56
MEN1 O00255 1/20 0.56
MTOR P42345 1/20 0.56
ALDH1A1 P00352 2/20 0.56
ENPP3 O14638 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.56
KLK7 P49862 1/20 0.55

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
SCHEMBL3026147 0.93 MAPT (0.68) MAPTTP53GAATHRBSMN1; SMN2
SCHEMBL3017604 0.83 KMT2A (0.84) MAPTTP53THRBSMN1; SMN2POLB
SCHEMBL3030662 0.82 MAPT (0.86) MAPTTP53GAATHRBSMN1; SMN2
SCHEMBL3027890 0.81 MAPT (1.00) MAPTTP53GAATHRBSMN1; SMN2
SCHEMBL7913383 0.80 MAPT (0.61) MAPTTP53GAATHRBSMN1; SMN2
SCHEMBL3021512 0.78 MAPT (0.81) MAPTTP53GAATHRBPOLB
SCHEMBL7915153 0.75 MAPT (0.61) MAPTTP53GAATHRBSMN1; SMN2
SCHEMBL15783186 0.75 KDR (0.81) MAPTTP53GAATHRBPOLB
SCHEMBL8021598 0.75 NPSR1 (0.79) MAPTGAATHRBSMN1; SMN2POLB
SCHEMBL7904940 0.74 ENPP3 (0.70) MAPTTP53GAATHRBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9316633-B2 Methods for identifying inhibitors of solute transporters THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-04-19 US disclosed
US-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-29 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-20100190796-A1 METHODS FOR IDENTIFYING INHIBITORS OF SOLUTE TRANSPORTERS SLC2A1, SLC2A3, SLC2A8 MAPT 1849/4885TP53 1348/4885GAA 494/4885

“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.