SCHEMBL26806460

SCHEMBL26806460

Cc1cccc(C)c1-c1cc(Oc2cnc(N3CCN(C)CC3)nc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.38
▸ FURIN P09958 4/20 0.37
▸ MAP4K1 Q92918 1/20 0.37
▸ BRD4 O60885 2/20 0.36
▸ TNKS O95271 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ BRAF P15056 2/20 0.35
▸ RAD52 P43351 2/20 0.35
▸ HTR1A P08908 3/20 0.34
▸ HTR7 P34969 3/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ HTR6 P50406 2/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CA12 O43570 1/20 0.34

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
SCHEMBL29566772 1.00 DGAT2 (0.38) DGAT2FURINMAP4K1BRD4TNKS
SCHEMBL24310014 0.89 HTR1A (0.42) MAP4K1BRD4RAD52HTR1AHTR7
SCHEMBL29567227 0.89 MAP4K1 (0.43) DGAT2MAP4K1BRD4RAD52HTR1A
SCHEMBL24309675 0.89 MAP4K1 (0.37) DGAT2MAP4K1BRD4ALDH1A1TP53
SCHEMBL24310343 0.89 MAP4K1 (0.43) DGAT2MAP4K1BRD4RAD52HTR1A
SCHEMBL24309240 0.88 ALDH1A1 (0.36) DGAT2MAP4K1BRD4ALDH1A1TP53
SCHEMBL29566640 0.88 ALDH1A1 (0.36) DGAT2MAP4K1BRD4ALDH1A1TP53
SCHEMBL24309946 0.88 MAP4K1 (0.38) DGAT2MAP4K1BRD4RAD52HTR1A
SCHEMBL26808238 0.87 DGAT2 (0.36) DGAT2MAP4K1BRD4ALDH1A1TP53
SCHEMBL24309786 0.86 DGAT2 (0.40) DGAT2MAP4K1BRD4ALDH1A1TP53

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 DGAT2 688/4885FURIN 3429/4885MAP4K1 3678/4885

“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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