SCHEMBL3555940

SCHEMBL3555940

Cc1csc(N2CC[C@H](F)C2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 1/20 0.39
DPP4 P27487 1/20 0.38
DNM1L O00429 2/20 0.38
OGA O60502 2/20 0.37
MEN1 O00255 2/20 0.37
CHRM3 P20309 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL15888597 0.92 DNM1L (0.45) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL29225087 0.82 HRH3 (0.46) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL13634364 0.82 HRH3 (0.46) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL13634334 0.80 DNM1L (0.42) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL13634185 0.80 HRH3 (0.50) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL10136842 0.79 HRH3 (0.49) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL10136897 0.78 L3MBTL1 (0.49) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL13634365 0.76 HRH3 (0.47) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL13634230 0.75 HRH3 (0.55) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL12988798 0.75 HRH3 (0.52) HRH3L3MBTL1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 HRH3 338/4885L3MBTL1 3267/4885SMN1; SMN2 3601/4885

“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.