SCHEMBL22601547

SCHEMBL22601547

CC(C)(C)c1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)ccn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CNR2 P34972 15/20 0.55
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
PROKR1 Q8TCW9 1/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46

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
SCHEMBL22601450 0.81 LMNA (0.64) SMN1; SMN2LMNAHSD17B10ALDH1A1TSHR
SCHEMBL22601541 0.81 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHSD17B10CNR2ALDH1A1
SCHEMBL22601545 0.81 SMN1; SMN2 (0.52) SMN1; SMN2LMNAHSD17B10CNR2ALDH1A1
SCHEMBL14868382 0.80 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHSD17B10ALDH1A1TSHR
SCHEMBL17207185 0.79 SMN1; SMN2 (0.69) SMN1; SMN2LMNAHSD17B10ALDH1A1TSHR
SCHEMBL22601453 0.79 SMN1; SMN2 (0.69) SMN1; SMN2LMNAHSD17B10ALDH1A1TSHR
SCHEMBL22601443 0.77 HPGD (0.59) SMN1; SMN2LMNAHSD17B10ALDH1A1TSHR
SCHEMBL22601430 0.77 HPGD (0.59) SMN1; SMN2LMNAHSD17B10ALDH1A1TSHR
SCHEMBL4739890 0.76 CNR2 (0.60) CNR2ALDH1A1F2PLGPRSS1
SCHEMBL22601522 0.75 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHSD17B10ALDH1A1TSHR

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 SMN1; SMN2 3406/4885LMNA 3233/4885HSD17B10 2536/4885

“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.