SCHEMBL26814554

SCHEMBL26814554

COCCNc1ccc(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ MAP4K1 Q92918 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SYK P43405 3/20 0.34
▸ PIK3CD O00329 2/20 0.34
▸ PIK3CB P42338 2/20 0.34
▸ PIK3CG P48736 2/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ HTR1A P08908 2/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL26814517 0.92 SMN1; SMN2 (0.38) MAP4K1TSHRSMN1; SMN2PIK3CDPIK3CB
SCHEMBL26814696 0.90 MTOR (0.36) MAP4K1TSHRSMN1; SMN2PIK3CDPIK3CB
SCHEMBL26814683 0.90 MKNK1 (0.38) MAP4K1TSHRSMN1; SMN2PIK3CDPIK3CB
SCHEMBL26806466 0.90 HTR1A (0.34) MAP4K1TSHRSMN1; SMN2PIK3CDPIK3CB
SCHEMBL26856740 0.90 TSHR (0.35) ALDH1A1KDM4ELOXL2TSHRSMN1; SMN2
SCHEMBL26814536 0.89 PIK3CD (0.36) MAP4K1TSHRSMN1; SMN2PIK3CDPIK3CB
SCHEMBL26814745 0.89 BPTF (0.35) KDM4EMAP4K1PIK3CDPIK3CBPIK3CG
SCHEMBL26814715 0.87 MAP4K1 (0.33) MAP4K1PIK3CDPIK3CBPIK3CGMTOR
SCHEMBL26814500 0.86 HTR1A (0.36) MAP4K1TSHRSMN1; SMN2PIK3CDPIK3CB
SCHEMBL24309393 0.84 HTR1A (0.36) ALDH1A1MAP4K1TSHRSMN1; SMN2PIK3CD

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-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 ALDH1A1 3992/4885KDM4E 4141/4885LOXL2 2934/4885

“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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