SCHEMBL3549889

SCHEMBL3549889

COCCC(C)c1nc(C)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ CACNA2D1 P54289 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GAA P10253 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 3/20 0.32
▸ HTT P42858 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FDPS P14324 1/20 0.32
▸ PDE1A P54750 1/20 0.32
▸ PDE1B Q01064 1/20 0.32

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
SCHEMBL21011913 0.80 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2NOS1CACNA2D1CHRM1
SCHEMBL13999711 0.78 MAPT (0.39) ALDH1A1MAPT
SCHEMBL13999811 0.76 L3MBTL1 (0.39) ALDH1A1KDM4EL3MBTL1
SCHEMBL10192297 0.76 SMN1; SMN2 (0.40) GRM5SMN1; SMN2NOS1CACNA2D1CHRM1
SCHEMBL14234083 0.76 SMN1; SMN2 (0.40) GRM5SMN1; SMN2NOS1CACNA2D1CHRM1
SCHEMBL13103844 0.76 SMN1; SMN2 (0.40) GRM5SMN1; SMN2NOS1CACNA2D1CHRM1
SCHEMBL3552522 0.74 SMN1; SMN2 (0.41) GRM5ALDH1A1SMN1; SMN2NOS1CACNA2D1
SCHEMBL23075056 0.73 SPHK2 (0.37) KDM4ESMN1; SMN2NOS1CACNA2D1CHRM1
SCHEMBL3435750 0.72 ALOX15 (0.31) —
SCHEMBL22291830 0.70 CHRM1 (0.31) CHRM1HRH1KCNH2

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 GRM5 1055/4885ALDH1A1 975/4885KDM4E 1834/4885

“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.

Send feedback