SCHEMBL26066985

SCHEMBL26066985

Cc1cnc(C(C)(F)F)s1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.43
RAB9A P51151 1/20 0.35
GLP1R P43220 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CNR2 P34972 1/20 0.32
KDR P35968 1/20 0.31
FDPS P14324 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL26195406 0.86 NOS1 (0.43) NOS1RAB9AGLP1RCNR2KDR
SCHEMBL128024 0.84 NOS1 (0.44) NOS1RAB9AGLP1RSMN1; SMN2CNR2
SCHEMBL9609561 0.81 NOS1 (0.46) NOS1RAB9ASMN1; SMN2CNR2KDR
SCHEMBL14151845 0.79 NOS1 (0.50) NOS1RAB9ASMN1; SMN2KDRFDPS
SCHEMBL126808 0.77 NOS1 (0.43) NOS1RAB9ASMN1; SMN2CNR2KDR
SCHEMBL129440 0.77 MLYCD (0.40) NOS1FDPSALDH1A1TP53HTT
SCHEMBL31581042 0.76 SNCA (0.31) SMN1; SMN2KDR
SCHEMBL25933310 0.74 NOS1 (0.40) NOS1RAB9ACNR2
SCHEMBL28265326 0.74 NOS1 (0.33) NOS1GLP1RCNR2ALDH1A1TP53
SCHEMBL21843811 0.72 NOS1 (0.39) NOS1RAB9ASMN1; SMN2CNR2KDR

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-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
US-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. 2023-11-16 US disclosed
WO-2023164233-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 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-20230365592-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 NOS1 1052/4885RAB9A 1335/4885GLP1R 3440/4885

“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.