SCHEMBL3022016

SCHEMBL3022016

Cc1cccc(-c2nnc(Nc3ccc(O)cc3)c3ccccc23)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.71
NPSR1 Q6W5P4 2/20 0.65
ENPP3 O14638 4/20 0.64
MAPT P10636 6/20 0.63
LMNA P02545 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KLK7 P49862 1/20 0.59
KLK14 Q9P0G3 1/20 0.59
HTT P42858 2/20 0.58
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58
BRAF P15056 1/20 0.58
KDR P35968 2/20 0.57
TP53 P04637 5/20 0.56
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
THRB P10828 1/20 0.54

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
SCHEMBL581896 0.85 GAA (0.91) GAANPSR1ENPP3MAPTLMNA
Hydrochloric Acid SCHEMBL580605 0.84 GAA (0.88) GAANPSR1ENPP3MAPTLMNA
SCHEMBL7913338 0.81 KDR (0.72) GAANPSR1ENPP3MAPTALDH1A1
SCHEMBL7904940 0.79 ENPP3 (0.70) GAANPSR1ENPP3MAPTLMNA
SCHEMBL7918570 0.79 NPSR1 (1.00) GAANPSR1ENPP3MAPTLMNA
SCHEMBL7918566 0.78 ENPP3 (0.76) GAANPSR1ENPP3MAPTLMNA
SCHEMBL3024303 0.77 MAPT (1.00) GAANPSR1ENPP3MAPTLMNA
SCHEMBL3029240 0.77 GAA (0.80) GAANPSR1ENPP3MAPTLMNA
SCHEMBL2211831 0.77 MAPT (1.00) GAANPSR1ENPP3MAPTLMNA
SCHEMBL2208521 0.77 GAA (0.80) GAANPSR1ENPP3MAPTLMNA

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 GAA 494/4885NPSR1 2816/4885ENPP3 1683/4885

“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.