SCHEMBL26812774

SCHEMBL26812774

CC(C)c1ccccc1-c1cc(Oc2ccccc2F)nc(NS(=O)(=O)c2cccc(Cl)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.45
▸ PGR P06401 3/20 0.41
▸ HTR1A P08908 4/20 0.41
▸ HTR7 P34969 4/20 0.41
▸ DRD2 P14416 2/20 0.40
▸ HTR6 P50406 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KAT6A Q92794 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ CCR2 P41597 1/20 0.37

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
SCHEMBL29566464 1.00 KDM1A (0.45) KDM1APGRHTR1AHTR7DRD2
SCHEMBL26812864 0.91 TDP1 (0.44) TDP1LMNAHTTMAPTMEN1
SCHEMBL24309354 0.91 TDP1 (0.45) TDP1LMNAHTTMAPT
SCHEMBL29567008 0.91 TDP1 (0.45) TDP1LMNAHTTMAPT
SCHEMBL29567109 0.90 TDP1 (0.42) HTR1AHTR7TDP1KAT6ALMNA
SCHEMBL24310800 0.90 TDP1 (0.42) HTR1AHTR7TDP1KAT6ALMNA
SCHEMBL29567206 0.89 TDP1 (0.41) KDM1AHTR1AHTR7DRD2HTR6
SCHEMBL24310091 0.89 TDP1 (0.41) KDM1AHTR1AHTR7DRD2HTR6
SCHEMBL26806777 0.89 TDP1 (0.40) HTR1AHTR7TDP1KAT6ALMNA
SCHEMBL24310082 0.89 ALPL (0.42) KDM1APGRTDP1KAT6ALMNA

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 KDM1A 4709/4885PGR 4116/4885HTR1A 4018/4885

“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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