SCHEMBL22339346

SCHEMBL22339346

CC(C)(C)c1ccc2c(c1)NCC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.47
CYP11B2 P19099 2/20 0.47
KIF11 P52732 2/20 0.45
GNRHR P30968 1/20 0.42
SMYD3 Q9H7B4 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL1697000 0.82 ALDH1A1 (0.40) KIF11MEN1KMT2ADDB1CRBN
SCHEMBL12672111 0.77 EPHX2 (0.51) CYP11B1CYP11B2SMYD3ALDH1A1NPC1
SCHEMBL30509174 0.77 EPHX2 (0.51) CYP11B1CYP11B2SMYD3ALDH1A1NPC1
SCHEMBL6756077 0.76 KIF11 (0.49) KIF11
SCHEMBL25372479 0.75 ALDH1A1 (0.44) KIF11MEN1KMT2AALDH1A1NPC1
SCHEMBL31027466 0.75 ALDH1A1 (0.44) KIF11MEN1KMT2AALDH1A1NPC1
SCHEMBL30542341 0.75 ALDH1A1 (0.44) KIF11MEN1KMT2AALDH1A1NPC1
SCHEMBL4595139 0.74 KIF11 (0.62) CYP11B1CYP11B2KIF11PDE3BPDE3A
SCHEMBL1119397 0.74 CMA1 (0.56) CYP11B1CYP11B2SMYD3MEN1KMT2A
SCHEMBL15828636 0.74 ALDH1A1 (0.44) KIF11MEN1KMT2AALDH1A1NPC1

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-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2023-09-07 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20200255422-A1 INHIBITORS OF TRIM33 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-08-13 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-20230278993-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDCD1, CD274, PDCD1LG2 CYP11B1 110/4885CYP11B2 235/4885KIF11 135/4885
US-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 CYP11B1 1708/4885CYP11B2 2208/4885KIF11 2061/4885
US-20200255422-A1 INHIBITORS OF TRIM33 AND METHODS OF USE TRIM33, TRIM28, TRIM4 CYP11B1 1708/4885CYP11B2 2208/4885KIF11 2061/4885

“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.