SCHEMBL24424422

SCHEMBL24424422

COc1cc(-c2cc(C(=O)N3CC[C@@H](C(=O)NCc4cccc(Cl)c4)C[C@H]3C)n[nH]2)c(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ IGF1R P08069 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL24423587 1.00 POLB (0.42) POLBKMT2AMAPTCCNT1CDK9
SCHEMBL29584074 1.00 POLB (0.42) POLBKMT2AMAPTCCNT1CDK9
SCHEMBL29583511 1.00 POLB (0.42) POLBKMT2AMAPTCCNT1CDK9
SCHEMBL24424150 0.90 POLB (0.44) POLBKMT2AMAPTCCNT1CDK9
SCHEMBL29583332 0.90 POLB (0.44) POLBKMT2AMAPTCCNT1CDK9
SCHEMBL24422946 0.89 KMT2A (0.49) POLBKMT2AMAPTMEN1TSHR
SCHEMBL29584116 0.89 KMT2A (0.49) POLBKMT2AMAPTMEN1TSHR
SCHEMBL24424163 0.87 THRB (0.42) POLBIGF1RALKROCK2ROCK1
SCHEMBL24424165 0.87 THRB (0.42) POLBIGF1RALKROCK2ROCK1
SCHEMBL24424164 0.87 THRB (0.42) POLBIGF1RALKROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062861-A1 PPARg MODULATORS AND METHODS OF USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-03-02 — — US disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — 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-20230062861-A1 PPARg MODULATORS AND METHODS OF USE PPARG, PPARA, PPARD POLB 992/4885KMT2A 4267/4885MAPT 4736/4885

“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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