SCHEMBL4245850

SCHEMBL4245850

COc1cc(NC(=O)c2c(F)cccc2F)ccc1C(=O)NN

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.59
SMN1; SMN2 Q16637 6/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 3/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
ALOX12 P18054 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
POLB P06746 1/20 0.51
NPC1 O15118 5/20 0.50
MAPT P10636 2/20 0.50
CTSD P07339 1/20 0.50
HPGD P15428 1/20 0.50
KLK1 P06870 1/20 0.49
KLK5 Q9Y337 1/20 0.49
KDR P35968 1/20 0.49
GRM4 Q14833 2/20 0.49
KCNK3 O14649 1/20 0.49

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
SCHEMBL4033866 0.88 NPC1 (0.66) RAB9ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL4543393 0.87 RAB9A (0.61) RAB9ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL4245883 0.85 NPC1 (0.65) RAB9ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL4239634 0.81 RAB9A (0.55) RAB9ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL4250855 0.81 KCNK3 (0.64) RAB9ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL29138716 0.76 RAB9A (0.53) RAB9ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL4239561 0.75 NPC1 (0.55) RAB9ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL4338344 0.75 CTSD (0.65) RAB9ASMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL1641874 0.75 RAB9A (0.62) RAB9ASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL13878305 0.75 MCHR1 (0.54)

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 4 patents. 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
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
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
WO-2007138033-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2007-12-06 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-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 RAB9A 2045/4885SMN1; SMN2 1002/4885KMT2A 2842/4885

“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.