SCHEMBL26812909

SCHEMBL26812909

N#CCCCS(=O)(=O)Nc1nc(Oc2ccccc2)cc(-c2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ LTB4R Q15722 1/20 0.44
▸ MAPT P10636 6/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 7/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ GPR39 O43194 1/20 0.40
▸ CYP1A2 P05177 5/20 0.39
▸ CYP2C9 P11712 5/20 0.39
▸ CYP2C19 P33261 5/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATM Q13315 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 3/20 0.36

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
SCHEMBL26812997 0.84 MAPK1 (0.51) TDP1MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL26813008 0.82 LTB4R (0.48) TDP1MAPK1LTB4RMAPTALDH1A1
SCHEMBL26812934 0.80 MAPK1 (0.52) TDP1MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL26812908 0.79 MAPK1 (0.51) TDP1MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL26806813 0.78 MAPT (0.61) TDP1MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL26813029 0.78 MAPT (0.55) TDP1MAPK1MAPTSMN1; SMN2CYP1A2
SCHEMBL26812993 0.76 MAPK1 (0.48) TDP1MAPK1LTB4RMAPTALDH1A1
SCHEMBL26812990 0.76 TDP1 (0.54) TDP1MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL26812825 0.74 TDP1 (0.51) TDP1MAPK1MAPTALDH1A1SMN1; SMN2
SCHEMBL26813005 0.74 MAPT (0.56) TDP1MAPK1MAPTALDH1A1SMN1; 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 TDP1 4534/4885MAPK1 3810/4885LTB4R 180/4885

“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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