SCHEMBL4470242

SCHEMBL4470242

CC(=O)c1c(-c2ccc(F)cc2)nc2cc(C3CCN(C(=O)OCc4ccccc4)CC3)ccn12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPC3 Q13507 2/20 0.51
TRPC7 Q9HCX4 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
PDE4B Q07343 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRIN2B Q13224 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41

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
SCHEMBL4838636 0.88 TRPC3 (0.46) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL4835253 0.83 TRPC3 (0.49) TRPC3TRPC7
SCHEMBL4836747 0.82 TRPC3 (0.47) TRPC3TRPC7GRIN2B
SCHEMBL4906701 0.82 TRPC3 (0.47) TRPC3TRPC7
SCHEMBL4468918 0.82 MAPK14 (0.52)
SCHEMBL4893233 0.81 TRPC3 (0.47) TRPC3TRPC7
SCHEMBL4458503 0.80 TRPC3 (0.53) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL18031475 0.75 TRPC3 (0.55) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL18031474 0.73 TRPC3 (0.53) TRPC3TRPC7SMN1; SMN2NPC1RAB9A
SCHEMBL4035554 0.70 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ABCL9CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504501-B2 Antiprotozoal imidazopyridine compounds MERIAL LIMITED (US) 2009-03-17 US disclosed
US-7504501-B2 Antiprotozoal imidazopyridine compounds MERIAL LIMITED (US) 2009-03-17 US disclosed
US-7429590-B2 Antiprotozoal imidazopyridine compounds MERCK & CO. INC. (US) 2008-09-30 US disclosed
US-7429590-B2 Antiprotozoal imidazopyridine compounds MERCK & CO. INC. (US) 2008-09-30 US disclosed
US-20060293303-A1 Antiprotozoal imidazopyridine compounds MERCK SHARP & DOHME LLC 2006-12-28 US disclosed
US-20060178358-A1 Antiprotozoal imidazopyridine compounds MERIAL, INC. 2006-08-10 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 (2 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-20060293303-A1 Antiprotozoal imidazopyridine compounds PNPO, PIR, PNP TRPC3 4659/4885TRPC7 4549/4885SMN1; SMN2 1232/4885
US-20060178358-A1 Antiprotozoal imidazopyridine compounds PNPO, PIR, TYMP TRPC3 4544/4885TRPC7 4474/4885SMN1; SMN2 574/4885

“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.