SCHEMBL4238963

SCHEMBL4238963

O=C(Nc1ccc(-c2n[nH]c(=S)o2)cc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
GFER P55789 1/20 0.74
RAB9A P51151 3/20 0.72
MPO P05164 1/20 0.72
ALDH1A1 P00352 3/20 0.59
KDM4E B2RXH2 2/20 0.59
HPGD P15428 2/20 0.59
PPARG P37231 1/20 0.59
NCOA2 Q15596 1/20 0.59
NCOA1 Q15788 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
PTGES O14684 2/20 0.57
PTPN1 P18031 3/20 0.56
TYMP P19971 1/20 0.54
BCAT2 O15382 1/20 0.53
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
DEGS1 O15121 1/20 0.50

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
SCHEMBL4034107 0.83 MEN1 (0.70) MEN1KMT2AGFERRAB9AMPO
SCHEMBL4241019 0.81 MEN1 (0.67) MEN1KMT2AGFERRAB9AMPO
SCHEMBL4242132 0.81 MEN1 (0.67) MEN1KMT2AGFERRAB9AMPO
SCHEMBL4241931 0.79 MEN1 (0.65) MEN1KMT2AGFERRAB9AMPO
SCHEMBL8770855 0.79 NPC1 (0.74) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL4246473 0.78 MEN1 (0.64) MEN1KMT2AGFERRAB9AMPO
SCHEMBL13984125 0.76 ALDH1A1 (0.92) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL5567676 0.76 ALDH1A1 (1.00) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL18085798 0.74 PTPN1 (1.00) MEN1KMT2ARAB9AKDM4EPTPN1
SCHEMBL4238485 0.73 PTPN1 (0.59) MEN1KMT2AGFERRAB9AMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 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-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 MEN1 4763/4885KMT2A 2842/4885GFER 2730/4885

“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.