SCHEMBL29956912

SCHEMBL29956912

CN(C)C(=O)c1ccc(B(O)O)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDK2 Q15119 2/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.36
NCEH1 Q6PIU2 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ANPEP P15144 1/20 0.35

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
SCHEMBL12813483 1.00 ERN1 (0.47) ERN1ALDH1A1HPGDSMN1; SMN2PDK2
SCHEMBL6522758 0.86 ERN1 (0.50) ERN1ALDH1A1HPGDSMN1; SMN2PDK2
SCHEMBL2653855 0.81 CES2 (0.59) ERN1ALDH1A1HPGDSMN1; SMN2PDK2
SCHEMBL3785542 0.80 SMN1; SMN2 (0.44) ERN1ALDH1A1HPGDSMN1; SMN2PDK2
SCHEMBL3502920 0.79 ALDH1A1 (0.42) ALDH1A1HPGDCES2CES1KMT2A
SCHEMBL1289685 0.79 LMNA (0.55) ERN1ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL29547008 0.79 LMNA (0.55) ERN1ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL29421591 0.79 SLC6A2 (0.43) ERN1ALDH1A1HPGDSMN1; SMN2KCNH2
SCHEMBL15709079 0.79 SLC6A2 (0.43) ERN1ALDH1A1HPGDSMN1; SMN2KCNH2
SCHEMBL10195681 0.78 PARP1 (0.50) ERN1ALDH1A1SMN1; SMN2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260098044-A1 TRICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2 AND/OR JAK1 INCYTE CORP (US) 2026-04-09 US disclosed
US-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-30 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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-20230096641-A1 HPK1 ANTAGONISTS AND USES THEREOF PDXK, HIPK1, PCK1 ERN1 428/4885ALDH1A1 4740/4885HPGD 413/4885
US-20260098044-A1 TRICYCLIC HETEROARYL COMPOUNDS AS INHIBITORS OF TYK2 AND/OR JAK1 JAK1, TYK2, JAK2 ERN1 730/4885ALDH1A1 1336/4885HPGD 3618/4885

“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.