SCHEMBL26810044

SCHEMBL26810044

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ BRD4 O60885 2/20 0.35
▸ HTR6 P50406 3/20 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
▸ PCK1 P35558 1/20 0.33
▸ HTR1A P08908 4/20 0.33
▸ HTR7 P34969 4/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ SLC6A9 P48067 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ SLC8A1 P32418 1/20 0.31

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
SCHEMBL26810012 0.95 SMN1; SMN2 (0.34) SMN1; SMN2TSHRBRD4HTR6PIK3CD
SCHEMBL29566654 0.91 NMT1 (0.37) SMN1; SMN2TSHRBRD4HTR6PIK3CD
SCHEMBL24310059 0.91 NMT1 (0.37) SMN1; SMN2TSHRBRD4HTR6PIK3CD
SCHEMBL29566661 0.90 TSHR (0.33) SMN1; SMN2TSHRBRD4PIK3CDPIK3CB
SCHEMBL24310136 0.90 TSHR (0.33) SMN1; SMN2TSHRBRD4PIK3CDPIK3CB
SCHEMBL26810238 0.89 SMN1; SMN2 (0.38) SMN1; SMN2TSHRBRD4PIK3CDPIK3CB
SCHEMBL29566612 0.89 TSHR (0.43) SMN1; SMN2TSHRBRD4PIK3CDPIK3CB
SCHEMBL24310345 0.89 TSHR (0.43) SMN1; SMN2TSHRBRD4PIK3CDPIK3CB
SCHEMBL24310086 0.88 GAA (0.40) SMN1; SMN2TSHRBRD4PIK3CDPIK3CB
SCHEMBL29566748 0.88 GAA (0.40) SMN1; SMN2TSHRBRD4PIK3CDPIK3CB

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 SMN1; SMN2 4847/4885TSHR 1755/4885BRD4 1716/4885

“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.

Send feedback