SCHEMBL21530462

SCHEMBL21530462

Nc1nc(CN2CCN(c3cccc(Cl)c3)CC2)nc(Nc2ccc3c(c2)OCCO3)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.73
MAPT P10636 8/20 0.73
USP2 O75604 8/20 0.73
NPSR1 Q6W5P4 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
NPC1 O15118 1/20 0.70
RAB9A P51151 1/20 0.70
ATM Q13315 1/20 0.70
GAA P10253 2/20 0.69
MAPK1 P28482 4/20 0.62
HTT P42858 1/20 0.62
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
XBP1 P17861 1/20 0.60
CYBB P04839 5/20 0.59
NOX4 Q9NPH5 5/20 0.59
NOX1 Q9Y5S8 3/20 0.59
LMNA P02545 3/20 0.57
NOX3 Q9HBY0 2/20 0.56
POLB P06746 2/20 0.56

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
SCHEMBL24019197 0.78 MAPT (0.77) ALDH1A1MAPTUSP2SMN1; SMN2GAA
SCHEMBL15660042 0.74 CYBB (1.00) ALDH1A1MAPTUSP2NPSR1SMN1; SMN2
SCHEMBL17999847 0.74 CYBB (1.00) ALDH1A1MAPTUSP2NPSR1SMN1; SMN2
SCHEMBL15658933 0.73 MAPT (0.84) ALDH1A1MAPTUSP2SMN1; SMN2GAA
SCHEMBL17999785 0.73 CYBB (1.00) ALDH1A1MAPTUSP2NPSR1SMN1; SMN2
SCHEMBL15662479 0.72 CYBB (1.00) ALDH1A1MAPTUSP2SMN1; SMN2GAA
SCHEMBL21530475 0.72 MAPT (0.85) ALDH1A1MAPTUSP2SMN1; SMN2GAA
SCHEMBL15662302 0.71 MAPT (0.80) ALDH1A1MAPTUSP2SMN1; SMN2GAA
SCHEMBL7517306 0.70 DRD2 (0.67) ALDH1A1MAPTHTTLMNATSHR
SCHEMBL21530470 0.70 ALDH1A1 (1.00) ALDH1A1MAPTUSP2NPSR1SMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 US disclosed
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 US disclosed
EP-3562811-B1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S L (ES) 2022-03-16 EP disclosed
US-11174242-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2021-11-16 US disclosed
US-11174242-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2021-11-16 US disclosed
US-20190337922-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2019-11-07 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 (4 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-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA ALDH1A1 1097/4885MAPT 229/4885USP2 2529/4885
US-20190337922-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA ALDH1A1 1097/4885MAPT 229/4885USP2 2529/4885
US-11174242-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA ALDH1A1 1097/4885MAPT 229/4885USP2 2529/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA ALDH1A1 1097/4885MAPT 229/4885USP2 2529/4885

“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.