SCHEMBL21671899

SCHEMBL21671899

CC(C)(C)c1ccc(NC(=O)CN2CCOCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.68
LMNA P02545 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
ALDH1A1 P00352 7/20 0.67
HPGD P15428 3/20 0.67
ALOX15 P16050 1/20 0.67
KDM4E B2RXH2 1/20 0.63
HRH3 Q9Y5N1 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
NPC1 O15118 1/20 0.60
USP2 O75604 1/20 0.60
MAPT P10636 1/20 0.59
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL13167589 0.87 NPC1 (0.67) LMNAALDH1A1HPGDKDM4EHRH3
SCHEMBL9490436 0.86 ATM (0.70) ATMLMNASMN1; SMN2HPGDALOX15
SCHEMBL22793764 0.86 ATM (0.68) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL9921691 0.85 ATM (0.76) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL14587230 0.84 ATM (0.63) ATMLMNASMN1; SMN2ALDH1A1ALOX15
SCHEMBL17896350 0.84 ALDH1A1 (0.67) ATMLMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL25039510 0.82 NPC1 (0.50) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL13658006 0.82 TSHR (0.67) LMNASMN1; SMN2ALDH1A1
SCHEMBL13025526 0.81 ATM (0.74) ATMLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL6555426 0.81 ALDH1A1 (0.80) ATMLMNASMN1; SMN2ALDH1A1HPGD

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-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-04 US disclosed
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 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 (2 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-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof DYRK1A, DYRK2, DYRK1B ATM 218/4885LMNA 3844/4885SMN1; SMN2 2945/4885
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 ATM 310/4885LMNA 3111/4885SMN1; SMN2 4476/4885

“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.