SCHEMBL30675637

SCHEMBL30675637

COc1c(C#N)cccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43
APEX1 P27695 4/20 0.42
NOTUM Q6P988 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
CASR P41180 1/20 0.40

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
SCHEMBL5195730 1.00 MAPT (0.45) MAPTTDP1ALDH1A1MAPK1KDM4E
SCHEMBL27312276 0.86 ALDH1A1 (0.41) MAPTTDP1ALDH1A1MAPK1KDM4E
SCHEMBL1708879 0.85 ALDH1A1 (0.47) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16950829 0.82 ALDH1A1 (0.39) MAPTALDH1A1TSHRNOTUMNPC1
SCHEMBL4487891 0.82 ALDH1A1 (0.42) ALDH1A1MAPK1KDM4EHPGDHSD17B10
SCHEMBL39857 0.81 ALDH1A1 (0.55) MAPTTDP1ALDH1A1MAPK1KDM4E
SCHEMBL26657030 0.81 HPGDS (0.43) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL9265800 0.80 AKR1C3 (0.45) MAPTALDH1A1
SCHEMBL20436373 0.80 ALDH1A1 (0.41) MAPTTDP1ALDH1A1KDM4EHPGD
SCHEMBL17077586 0.80 TSHR (0.53) MAPTTDP1ALDH1A1KDM4EHSD17B10

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-12630549-B2 Pyrazoleamide derivatives HOFFMANN-LA ROCHE INC. (US) 2026-05-19 US disclosed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 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 (2 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-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES P2RY1, P2RX1, P2RX5 MAPT 3058/4885TDP1 1999/4885ALDH1A1 203/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B MAPT 2409/4885TDP1 1930/4885ALDH1A1 439/4885

“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.