SCHEMBL22601448

SCHEMBL22601448

CC(C)(C)c1cc(C(=O)N2CCCc3ccccc32)ccn1

nearest known ligand 0.87

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HTT P42858 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
POLB P06746 1/20 0.57
HSD17B10 Q99714 1/20 0.57
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
LMNA P02545 2/20 0.55
AVPR2 P30518 1/20 0.55
OXTR P30559 1/20 0.55
AVPR1A P37288 1/20 0.55
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL3136427 0.79 POLB (0.73) TSHRALDH1A1SMN1; SMN2POLBHSD17B10
SCHEMBL28059149 0.78 ALDH1A1 (0.68) TSHRALDH1A1POLBLMNAAVPR2
SCHEMBL383818 0.78 HSP90AA1 (0.61) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL22601431 0.77 HSP90AA1 (0.63) TSHRALDH1A1SMN1; SMN2HTTHSD17B10
SCHEMBL3456488 0.76 HPGD (0.83) TSHRALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL14868382 0.76 SMN1; SMN2 (0.71) TSHRALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL18774001 0.75 KMT2A (0.72) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29463754 0.75 ALDH1A1 (0.81) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6198498 0.75 ALDH1A1 (0.81) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1692046 0.74 MEN1 (0.63) TSHRALDH1A1SMN1; SMN2MEN1KMT2A

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 TSHR 4486/4885ALDH1A1 1908/4885SMN1; 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.