SCHEMBL26810036

SCHEMBL26810036

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCN(C(C)C)CC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 7/20 0.36
▸ MAP4K1 Q92918 1/20 0.35
▸ RAD52 P43351 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ MAPT P10636 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCND1 P24385 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ACVR1 Q04771 1/20 0.32

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
SCHEMBL29567227 0.92 MAP4K1 (0.43) BRD4MAP4K1RAD52HTR1AHTR7
SCHEMBL24310343 0.92 MAP4K1 (0.43) BRD4MAP4K1RAD52HTR1AHTR7
SCHEMBL26810043 0.91 BRD4 (0.36) BRD4MAP4K1RAD52HTR1AHTR7
SCHEMBL29566685 0.90 ALDH1A1 (0.37) BRD4MAP4K1RAD52MAPTLMNA
SCHEMBL24310087 0.90 ALDH1A1 (0.37) BRD4MAP4K1RAD52MAPTLMNA
SCHEMBL26810055 0.90 ALDH1A1 (0.37) BRD4MAP4K1RAD52MAPTLMNA
SCHEMBL26810039 0.90 CA12 (0.36) BRD4MAP4K1RAD52HTR7MAPT
SCHEMBL26812314 0.90 KMT2A (0.40) MAPTLMNASMN1; SMN2TSHRALDH1A1
SCHEMBL26810034 0.89 MAP4K1 (0.35) BRD4MAP4K1RAD52HTR1AHTR7
SCHEMBL26810000 0.89 MAP4K1 (0.41) BRD4MAP4K1RAD52HTR1AHTR7

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B BRD4 1716/4885MAP4K1 3678/4885RAD52 4705/4885

“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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