SCHEMBL24326772

SCHEMBL24326772

O=C1CN(Cc2ccccc2)Cc2ncccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACHE P22303 2/20 0.44
MDM2 Q00987 1/20 0.43
KMT2A Q03164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
CHRM2 P08172 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DHPS P49366 1/20 0.40
KAT2B Q92831 1/20 0.40

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
SCHEMBL29570967 1.00 TDP1 (0.50) TDP1LMNAHTTALDH1A1TP53
SCHEMBL24326465 0.85 TP53 (0.40) TDP1LMNAHTTALDH1A1TP53
SCHEMBL3715438 0.78 SIGMAR1 (0.46) TDP1LMNAHTTALDH1A1TP53
SCHEMBL30451947 0.78 SIGMAR1 (0.46) TDP1LMNAHTTALDH1A1TP53
SCHEMBL7692116 0.78 DHPS (0.55) ALDH1A1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL4000995 0.76 SIGMAR1 (0.54) TDP1ALDH1A1MAPTACHEKMT2A
SCHEMBL24326382 0.72 ALDH1A1 (0.52) TDP1LMNAHTTALDH1A1TP53
SCHEMBL30662759 0.72 MEN1 (0.53) TDP1LMNAHTTMAPTRAB9A
SCHEMBL12984920 0.72 MEN1 (0.53) TDP1LMNAHTTMAPTRAB9A
SCHEMBL4004588 0.72 SIGMAR1 (0.47) TDP1LMNAHTTALDH1A1MAPT

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 3 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
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 TDP1 4375/4885LMNA 3702/4885HTT 3899/4885

“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.