SCHEMBL5264429

SCHEMBL5264429

COC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48

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
SCHEMBL13853225 0.87 TUBB4A (0.49) SMN1; SMN2NPC1RAB9ATUBB4ATUBB
SCHEMBL5265309 0.85 ALDH1A1 (0.51) SMN1; SMN2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL5262192 0.84 TUBB4A (0.46) SMN1; SMN2NPC1RAB9ATUBB4ATUBB
SCHEMBL13853224 0.82 CSNK1D (0.41) RAB9ANTRK1NTRK2CSNK1DCSNK1E
SCHEMBL7562908 0.81 NPC1 (0.57) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL7566122 0.81 NPC1 (0.61) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL2513073 0.80 NPC1 (0.56) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL3878179 0.77 TUBB4A (0.56) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL7569718 0.77 NPC1 (0.52) SMN1; SMN2NPC1CASP3RAB9ASENP8
SCHEMBL10667889 0.76 TUBB4A (0.54) SMN1; SMN2NPC1CASP3RAB9ASENP8

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-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
US-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PEAKDALE MOLECULAR LIMITED (GB) 2009-05-28 US disclosed
EP-1824828-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS Peakdale Molecular Limited (GB) 2007-08-29 EP disclosed
WO-2006059103-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS PEAKDALE MOLECULAR LIMITED (GB) 2006-06-08 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-20090137558-A1 Pyridine based compounds useful as intermediates for pharmaceutical or agricultural end-products PNPO, CYP4B1, PDXK SMN1; SMN2 3921/4885NPC1 3973/4885CASP3 2994/4885

“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.