SCHEMBL26810094

SCHEMBL26810094

Cc1cccc(C)c1-c1cc(Oc2ccc(-c3ccncc3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 3/20 0.36
▸ HTR7 P34969 3/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ NAMPT P43490 2/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 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
SCHEMBL26810050 0.93 HTR1A (0.42) HTR1AHTR7BRD4TSHRSMN1; SMN2
SCHEMBL26810238 0.89 SMN1; SMN2 (0.38) HTR1AHTR7BRD4TSHRSMN1; SMN2
SCHEMBL24310345 0.89 TSHR (0.43) HTR1AHTR7BRD4TSHRSMN1; SMN2
SCHEMBL29566612 0.89 TSHR (0.43) HTR1AHTR7BRD4TSHRSMN1; SMN2
SCHEMBL26810045 0.89 ALDH1A1 (0.36) HTR1AHTR7BRD4TSHRSMN1; SMN2
SCHEMBL26810218 0.88 KMT2A (0.40) TSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL29566748 0.88 GAA (0.40) HTR1AHTR7BRD4TSHRSMN1; SMN2
SCHEMBL24310086 0.88 GAA (0.40) HTR1AHTR7BRD4TSHRSMN1; SMN2
SCHEMBL26810047 0.88 ALDH1A1 (0.35) HTR1AHTR7BRD4TSHRSMN1; SMN2
SCHEMBL26857058 0.88 TSHR (0.36) HTR1AHTR7BRD4TSHRSMN1; SMN2

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 HTR1A 4018/4885HTR7 3833/4885BRD4 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.

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