SCHEMBL3552522

SCHEMBL3552522

COC(C)c1nc(C)cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
NOS1 P29475 1/20 0.41
HSD17B10 Q99714 2/20 0.36
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
GAA P10253 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
CHRM1 P11229 1/20 0.34
HRH1 P35367 1/20 0.34
KCNH2 Q12809 1/20 0.34
FDPS P14324 1/20 0.33
MAP3K12 Q12852 1/20 0.33
GRM5 P41594 3/20 0.33
RAB9A P51151 3/20 0.32
NPC1 O15118 2/20 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
SCHEMBL8035870 0.80
SCHEMBL24962537 0.80
SCHEMBL2885153 0.80
SCHEMBL24610976 0.79 SMN1; SMN2 (0.39) SMN1; SMN2NOS1HSD17B10ESR2L3MBTL1
Ammonia Solution, Strong SCHEMBL27906407 0.77 SMN1; SMN2 (0.44) SMN1; SMN2NOS1HSD17B10ESR2L3MBTL1
SCHEMBL18997974 0.77 CCR4 (0.35)
SCHEMBL27707289 0.76 SMN1; SMN2 (0.41) SMN1; SMN2NOS1HSD17B10ESR2L3MBTL1
SCHEMBL14220775 0.76
SCHEMBL23870054 0.76 SMN1; SMN2 (0.43) SMN1; SMN2NOS1HSD17B10ESR2L3MBTL1
SCHEMBL20738505 0.76

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-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS DALCOR PHARMA UK LTD., LEATHERHEAD, ZUG BRANCH (CH) 2021-09-23 US disclosed
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 US disclosed
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 (3 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-20210290623-A1 METHODS FOR TREATING OR PREVENTING CARDIOVASCULAR DISORDERS AND LOWERING RISK OF CARDIOVASCULAR EVENTS HMGCR, PCSK9, FABP3 SMN1; SMN2 2041/4885NOS1 685/4885HSD17B10 321/4885
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 SMN1; SMN2 4331/4885NOS1 638/4885HSD17B10 2132/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 SMN1; SMN2 3601/4885NOS1 1900/4885HSD17B10 4247/4885

“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.