SCHEMBL22601431

SCHEMBL22601431

CC(C)(C)c1cc(C(=O)N2CCc3ccccc3C2)ccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.63
HSP90AB1 P08238 2/20 0.63
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 4/20 0.59
HSD17B10 Q99714 1/20 0.59
ALDH1A1 P00352 3/20 0.57
HTT P42858 2/20 0.57
TSHR P16473 1/20 0.57
HPGD P15428 6/20 0.56
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
GAA P10253 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL22601539 0.80 LMNA (0.66) HSP90AA1HSP90AB1SMN1; SMN2LMNAHSD17B10
SCHEMBL22601522 0.79 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHSD17B10ALDH1A1HTT
SCHEMBL14868382 0.78 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHSD17B10ALDH1A1HTT
SCHEMBL3455632 0.78 HSP90AA1 (0.67) HSP90AA1HSP90AB1SMN1; SMN2LMNAALDH1A1
SCHEMBL382173 0.78 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL22601448 0.77 TSHR (0.59) SMN1; SMN2LMNAHSD17B10ALDH1A1HTT
SCHEMBL22601453 0.77 SMN1; SMN2 (0.69) SMN1; SMN2LMNAHSD17B10ALDH1A1HTT
SCHEMBL17207185 0.77 SMN1; SMN2 (0.69) SMN1; SMN2LMNAHSD17B10ALDH1A1HTT
SCHEMBL10414745 0.77 HPGD (0.74) SMN1; SMN2LMNAALDH1A1HTTHPGD
SCHEMBL3455489 0.76 HPGD (0.65) HSP90AA1HSP90AB1SMN1; SMN2LMNAALDH1A1

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 HSP90AA1 524/4885HSP90AB1 454/4885SMN1; SMN2 3406/4885

“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.