SCHEMBL24349696

SCHEMBL24349696

CC(=O)N1Cc2ccccc2-c2c(nnn2C(C)C)-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.46
HSD17B3 P37058 13/20 0.45
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TOP2A P11388 1/20 0.36
MAP3K5 Q99683 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
SCHEMBL22512575 0.95 HSD17B3 (0.48) NOTUMHSD17B3CYP2D6CYP2C9
SCHEMBL24408083 0.91 TOP2A (0.38) NOTUMHSD17B3CYP2C9TOP2AMAP3K5
SCHEMBL23280914 0.89 KDM4E (0.48) NOTUMHSD17B3CYP2C9TOP2AMAP3K5
SCHEMBL19604359 0.89 KMT2A (0.39) NOTUMHSD17B3CYP2D6CYP2C9TOP2A
SCHEMBL23961928 0.88 TSHR (0.39) NOTUMHSD17B3CYP2C9
SCHEMBL21396376 0.88 SMN1; SMN2 (0.37) NOTUMCYP2C9TOP2AMAP3K5
SCHEMBL27422296 0.87 KDM4E (0.36) NOTUMCYP2C9TOP2AMAP3K5
SCHEMBL20758286 0.86 ALDH1A1 (0.39) NOTUMHSD17B3CYP2C9TOP2AMAP3K5
SCHEMBL16204540 0.85 NOTUM (0.48) NOTUMHSD17B3
SCHEMBL23961925 0.85 TSHR (0.38) NOTUMCYP2C9TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073622-A2 RADIOPHARMACEUTICAL COMPOSITIONS TARGETING EPHRIN TYPE-A RECEPTOR 2 AND USES THEREOF RAYZEBIO, INC. (US) 2024-04-04 WO disclosed
US-20230399356-A1 ANTIBODY DRUG CONJUGATES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-14 US disclosed
EP-4279089-A1 DISACCHARIDE LINKER, DISACCHARIDE-SMALL MOLECULE DRUG CONJUGATE AND SUGAR CHAIN FIXED-POINT ANTIBODY-DRUG CONJUGATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-11-22 EP disclosed
WO-2023173026-A1 ANTIBODY-DRUG CONJUGATES AND USES THEREOF SORRENTO THERAPEUTICS, INC. (US) 2023-09-14 WO disclosed
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF RAYZEBIO, INC. 2023-05-25 US disclosed
WO-2022271818-A1 ANTISENSE COMPOUNDS AND METHODS FOR TARGETING CUG REPEATS ENTRADA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
EP-3960767-A2 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES Novartis AG (CH) 2022-03-02 EP 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-20230399356-A1 ANTIBODY DRUG CONJUGATES STING1, CGAS, TBK1 NOTUM 4371/4885HSD17B3 4131/4885CYP2D6 1662/4885
US-20230158179-A1 RADIOPHARMACEUTICAL CONJUGATE COMPOSITIONS AND USES THEREOF PAICS, LNPEP, DNPEP NOTUM 3088/4885HSD17B3 4113/4885CYP2D6 4271/4885

“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.