SCHEMBL24257133

SCHEMBL24257133

COC(=O)CCn1c(C)cc(C(=O)COc2ccccc2C(N)=O)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 1.00
▸ HTT P42858 4/20 1.00
▸ MAPK1 P28482 1/20 1.00
▸ MAPT P10636 7/20 0.69
▸ LMNA P02545 3/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ ALDH1A1 P00352 9/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 3/20 0.60
▸ TSHR P16473 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ NR2F2 P24468 1/20 0.48
▸ GALR3 O60755 1/20 0.47
▸ MITF O75030 1/20 0.46
▸ NOD1 Q9Y239 1/20 0.46
▸ TP53 P04637 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ NOD2 Q9HC29 1/20 0.43
▸ USP2 O75604 1/20 0.43

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
SCHEMBL25044302 0.75 PARP1 (0.58) SMN1; SMN2HTTMAPK1MAPTLMNA
SCHEMBL7455355 0.67 ABCB1 (0.63) SMN1; SMN2HTTMAPK1MAPTLMNA
SCHEMBL855090 0.67 MAPT (0.78) SMN1; SMN2HTTMAPTLMNAKMT2A
SCHEMBL7718767 0.66 MAPT (0.59) SMN1; SMN2HTTMAPTLMNAKMT2A
SCHEMBL3455066 0.66 HTT (0.77) SMN1; SMN2HTTMAPTLMNAKMT2A
SCHEMBL11488539 0.66 SMN1; SMN2 (0.48) SMN1; SMN2HTTMAPK1MAPTALDH1A1
SCHEMBL9930280 0.66 MAPT (0.71) SMN1; SMN2MAPTLMNAKMT2AALDH1A1
SCHEMBL27896049 0.66 KDM4E (0.55) SMN1; SMN2HTTLMNAKMT2AALDH1A1
SCHEMBL4203087 0.66 PARP1 (0.64) SMN1; SMN2HTTMAPTLMNAKMT2A
SCHEMBL854589 0.65 MAPT (0.67) SMN1; SMN2HTTMAPK1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230255970-A1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATIVE DISEASES THE BROAD INSTITUTE, INC. (US) 2023-08-17 — — US disclosed
US-20230255970-A1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATIVE DISEASES THE BROAD INSTITUTE, INC. (US) 2023-08-17 — — US disclosed
US-20230255970-A1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATIVE DISEASES THE BROAD INSTITUTE, INC. (US) 2023-08-17 — — US disclosed
WO-2022036063-A2 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATIVE DISEASES THE BROAD INSTITUTE, INC. (US) 2022-02-17 — — WO 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 (1 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-20230255970-A1 COMPOSITIONS AND METHODS FOR TREATING PROLIFERATIVE DISEASES YAP1, RELA, NFKBIA SMN1; SMN2 1372/4885HTT 2098/4885MAPK1 428/4885

“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.

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