SCHEMBL22426258

SCHEMBL22426258

Cc1ccc(CNC2CC(=O)N(Cc3ccccc3)C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.71
POLB P06746 3/20 0.71
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 3/20 0.55
MAPT P10636 2/20 0.52
ACHE P22303 2/20 0.51
BACE1 P56817 2/20 0.51
BCHE P06276 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL22426257 1.00 ALDH1A1 (0.71) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL22426271 0.95 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL22426267 0.95 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL9634928 0.92 SMN1; SMN2 (0.69) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL22426264 0.92 SMN1; SMN2 (0.69) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL22426278 0.90 ALDH1A1 (0.57) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL22426277 0.90 ALDH1A1 (0.57) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL22446336 0.88 SMN1; SMN2 (0.61) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL22426239 0.88 ALDH1A1 (0.61) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL22426240 0.88 ALDH1A1 (0.61) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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-11840514-B2 Catalysts and methods for enantioselective conjugate addition of amines to unsaturated electrophiles NORTHWESTERN UNIVERSITY (US) 2023-12-12 US disclosed
US-20210002221-A1 CATALYSTS AND METHODS FOR ENANTIOSELECIVE CONJUGATE ADDITION OF AMINES TO UNSATURATED ELECTROPHILES NORTHWESTERN UNIVERSITY 2021-01-07 US disclosed
US-10781172-B2 Catalysts and methods for enantioselective conjugate additions of amines to unsaturated electrophiles NORTHWESTERN UNIVERSITY (US) 2020-09-22 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 (3 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-11840514-B2 Catalysts and methods for enantioselective conjugate addition of amines to unsaturated electrophiles AADAC, COASY, PAICS ALDH1A1 142/4885POLB 828/4885SMN1; SMN2 934/4885
US-10781172-B2 Catalysts and methods for enantioselective conjugate additions of amines to unsaturated electrophiles AADAC, COASY, PAICS ALDH1A1 126/4885POLB 847/4885SMN1; SMN2 999/4885
US-20210002221-A1 CATALYSTS AND METHODS FOR ENANTIOSELECIVE CONJUGATE ADDITION OF AMINES TO UNSATURATED ELECTROPHILES COASY, AADAC, AOC1 ALDH1A1 97/4885POLB 885/4885SMN1; SMN2 1076/4885

“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.