SCHEMBL24309324

SCHEMBL24309324

Cc1ccccc1Oc1cc(C2(C)C(C)(C)C2(C)C)nc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 2/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAP4K4 O95819 1/20 0.41
▸ DHFR P00374 1/20 0.35
▸ ACHE P22303 3/20 0.34
▸ BCHE P06276 2/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A4 P31645 3/20 0.34
▸ SLC6A3 Q01959 3/20 0.34
▸ HSP90AA1 P07900 1/20 0.34

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
SCHEMBL24309720 0.79 NUDT1 (0.43) NUDT1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL29567237 0.79 NUDT1 (0.43) NUDT1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL29566872 0.77 NUDT1 (0.46) NUDT1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL24309729 0.75 MEN1 (0.38) NUDT1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL24310599 0.74 TSHR (0.51) KMT2ASMN1; SMN2MEN1TSHRHPGD
SCHEMBL29566989 0.70 NUDT1 (0.43) NUDT1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL24310321 0.70 NUDT1 (0.43) NUDT1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL24309816 0.70 NUDT1 (0.43) NUDT1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL17623909 0.66 MEN1 (0.56) NUDT1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL24309817 0.66 NUDT1 (0.41) NUDT1KMT2ASMN1; SMN2MEN1NPC1

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 6 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
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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 NUDT1 2755/4885KMT2A 4613/4885SMN1; SMN2 4847/4885

“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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