SCHEMBL25456090

SCHEMBL25456090

Cc1ccc(-c2ccc(CC3NC(=O)C(CCN)NC(=O)C(NC(=O)[C@@H](CCN)NC(=O)[C@@H](NC(=O)[C@@H](CCN)NC(=O)CCCCCC(C)C)[C@@H](C)O)CCNC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@@H](CC(C)C)NC3=O)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.86
▸ RCOR1 Q9UKL0 2/20 0.86
▸ LDHB P07195 4/20 0.41
▸ F11 P03951 1/20 0.38
▸ TERF2IP Q9NYB0 2/20 0.38
▸ NPY1R P25929 1/20 0.37
▸ NPY2R P49146 1/20 0.37
▸ NPY4R P50391 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ SSTR2 P30874 3/20 0.36
▸ SSTR4 P31391 2/20 0.36
▸ SSTR5 P35346 2/20 0.36
▸ TERF2 Q15554 2/20 0.36
▸ EGFR P00533 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ KEAP1 Q14145 1/20 0.36
▸ KRAS P01116 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
SCHEMBL17793343 0.93 KDM1A (0.90) KDM1ARCOR1LDHBF11TERF2IP
SCHEMBL21474053 0.93 KDM1A (0.90) KDM1ARCOR1LDHBF11TERF2IP
Polymyxin B2 SCHEMBL15887064 0.92 KDM1A (1.00) KDM1ARCOR1LDHBF11TERF2IP
Polymyxin B2 SCHEMBL534885 0.92 KDM1A (1.00) KDM1ARCOR1LDHBF11TERF2IP
SCHEMBL21474126 0.92 KDM1A (0.89) KDM1ARCOR1LDHBF11TERF2IP
Colistin B SCHEMBL1860364 0.91 KDM1A (0.90) KDM1ARCOR1LDHBF11TERF2IP
SCHEMBL21474096 0.91 KDM1A (0.89) KDM1ARCOR1LDHBF11TERF2IP
SCHEMBL21474087 0.91 KDM1A (0.89) KDM1ARCOR1LDHBF11TERF2IP
SCHEMBL21504123 0.90 KDM1A (0.95) KDM1ARCOR1LDHBTERF2IPSSTR2
SCHEMBL21504375 0.90 KDM1A (0.95) KDM1ARCOR1LDHBTERF2IPSSTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS Shanghai MICURX Pharmaceuticals Co., Ltd. (CN) 2023-05-11 — — 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 (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-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS GLS, ATP6V1B1, KRAS KDM1A 3592/4885RCOR1 4682/4885LDHB 1372/4885

“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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