SCHEMBL22787161

SCHEMBL22787161

CC(=N)NC(=O)c1nc[nH]c1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.39
GABRR1 P24046 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
FDPS P14324 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL15074569 0.78 SMN1; SMN2 (0.50) NPC1RAB9AMAPTGABRR1SMN1; SMN2
SCHEMBL7104572 0.78 GAA (0.54) NPC1RAB9AMAPTGABRR1SMN1; SMN2
SCHEMBL2100653 0.75
SCHEMBL17732600 0.74 SMN1; SMN2 (0.61) NPC1RAB9AMAPTGABRR1SMN1; SMN2
SCHEMBL10552507 0.71 NPSR1 (0.46) NPC1RAB9AMAPTGABRR1SMN1; SMN2
SCHEMBL10821579 0.70 ALDH1A1 (0.63) NPC1RAB9AMAPTSMN1; SMN2GAA
SCHEMBL4133844 0.70 NPC1 (0.42) NPC1RAB9AMAPTGABRR1SMN1; SMN2
SCHEMBL2588734 0.70
SCHEMBL11395633 0.70 KDM4E (0.51) NPC1RAB9AMAPTGABRR1SMN1; SMN2
Hydrochloric Acid SCHEMBL3448931 0.70 KDM4E (0.51) NPC1RAB9AMAPTGABRR1SMN1; SMN2

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-20200392503-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF POLYCYSTIC KIDNEY DISEASE Regulus Therapeutics Inc. (US) 2020-12-17 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-20200392503-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, PCSK7 NPC1 1193/4885RAB9A 4047/4885MAPT 4616/4885

“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.