SCHEMBL26810067

SCHEMBL26810067

CCN(CC)c1ccc(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ GAA P10253 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GFER P55789 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TSHR P16473 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ HTR1A P08908 2/20 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
SCHEMBL26810238 0.89 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2TSHRBRD4LMNA
SCHEMBL29566612 0.89 TSHR (0.43) ALDH1A1GAAMAPTSMN1; SMN2TSHR
SCHEMBL24310345 0.89 TSHR (0.43) ALDH1A1GAAMAPTSMN1; SMN2TSHR
SCHEMBL26810218 0.88 KMT2A (0.40) ALDH1A1GAAMAPTSMN1; SMN2TSHR
SCHEMBL29566748 0.88 GAA (0.40) ALDH1A1GAASMN1; SMN2TSHRBRD4
SCHEMBL24310086 0.88 GAA (0.40) ALDH1A1GAASMN1; SMN2TSHRBRD4
SCHEMBL26810050 0.88 HTR1A (0.42) ALDH1A1MAPTSMN1; SMN2TSHRBRD4
SCHEMBL26857058 0.88 TSHR (0.36) SMN1; SMN2TSHRBRD4PIK3CDPIK3CB
SCHEMBL24310203 0.88 MEN1 (0.38) ALDH1A1SMN1; SMN2BRD4LMNAHPGD
SCHEMBL26810003 0.86 SMN1; SMN2 (0.34) ALDH1A1GAAMAPTSMN1; SMN2TSHR

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 ALDH1A1 3992/4885GAA 904/4885MAPT 4864/4885

“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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