SCHEMBL24325912

SCHEMBL24325912

O=C1OC(CI)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 4/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
ACHE P22303 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
METAP1 P53582 2/20 0.39
TSHR P16473 2/20 0.39
CYP19A1 P11511 1/20 0.38

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
SCHEMBL31179793 0.82 SMN1; SMN2 (0.51) SMN1; SMN2RAB9ALMNAALDH1A1MAPK1
SCHEMBL29224691 0.79 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ALMNAALDH1A1MAPK1
SCHEMBL16684498 0.78 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ALMNAALDH1A1MAPK1
SCHEMBL31098382 0.77 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ALMNAALDH1A1MAPK1
SCHEMBL15256118 0.77 CYP3A4 (0.52) SMN1; SMN2RAB9ALMNAALDH1A1MAPK1
SCHEMBL4526675 0.76 HRH3 (0.49) MAOAMAOBTSHR
SCHEMBL1072092 0.72 SMN1; SMN2 (0.61) SMN1; SMN2RAB9ALMNAALDH1A1MAPK1
SCHEMBL2729912 0.72 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ALMNAALDH1A1MAPK1
SCHEMBL18791139 0.71 AKT1 (0.39) SMN1; SMN2RAB9ALMNAALDH1A1MAPK1
SCHEMBL18791137 0.70 MEN1 (0.40) SMN1; SMN2RAB9ALMNAALDH1A1MAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
US-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2024-01-18 US disclosed
EP-4225447-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2022076625-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076625-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-20240018161-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B SMN1; SMN2 4787/4885RAB9A 1486/4885LMNA 3702/4885

“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.