SCHEMBL3027890

SCHEMBL3027890

COc1ccc(-c2nnc(Nc3ccc(OCC(N)=O)cc3)c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 1.00
POLB P06746 1/20 0.82
THRB P10828 2/20 0.77
HTT P42858 2/20 0.77
ALDH1A1 P00352 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
KDR P35968 3/20 0.75
KMT2A Q03164 2/20 0.75
MEN1 O00255 1/20 0.75
TP53 P04637 3/20 0.71
GAA P10253 1/20 0.71
LMNA P02545 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.67
MTOR P42345 1/20 0.67
ENPP3 O14638 2/20 0.66
NPSR1 Q6W5P4 2/20 0.61
CA2 P00918 1/20 0.59
CA9 Q16790 1/20 0.59
BRAF P15056 1/20 0.59
KDM4E B2RXH2 1/20 0.58

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
SCHEMBL3028329 0.86 KDR (1.00) MAPTPOLBTHRBHTTALDH1A1
SCHEMBL15783186 0.82 KDR (0.81) MAPTPOLBTHRBHTTALDH1A1
SCHEMBL2211831 0.82 MAPT (1.00) MAPTPOLBTHRBHTTALDH1A1
SCHEMBL3024303 0.82 MAPT (1.00) MAPTPOLBTHRBHTTALDH1A1
SCHEMBL7918628 0.81 MAPT (0.81) MAPTPOLBTHRBHTTALDH1A1
SCHEMBL3021512 0.81 MAPT (0.81) MAPTPOLBTHRBHTTALDH1A1
Hydrochloric Acid SCHEMBL1396134 0.81 MAPT (0.97) MAPTPOLBTHRBHTTALDH1A1
SCHEMBL3028283 0.81 MAPT (0.67) MAPTPOLBTHRBHTTALDH1A1
SCHEMBL14235459 0.81 KDR (0.78) MAPTTHRBHTTALDH1A1L3MBTL1
SCHEMBL23493840 0.80 MAPT (1.00) MAPTPOLBTHRBKMT2ATP53

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 1849/4885POLB 3051/4885THRB 3545/4885

“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.