SCHEMBL30675636

SCHEMBL30675636

Cc1c(C#N)cccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
TSHR P16473 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.43
MYC P01106 2/20 0.42
MEN1 O00255 1/20 0.41
AKR1B10 O60218 1/20 0.41
TRPA1 O75762 1/20 0.41
ABCB11 O95342 1/20 0.41
DHFR P00374 1/20 0.41
LMNA P02545 1/20 0.41
MPO P05164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL1352722 1.00 NOTUM (0.48) NOTUMTSHRALDH1A1KDM4EHSD17B10
SCHEMBL3456921 0.87 AR (0.41) NOTUMTSHRNPC1RAB9AHTT
SCHEMBL9522265 0.85 MAPT (0.44) NOTUMTSHRALDH1A1KDM4ELMNA
SCHEMBL30148729 0.85 MAPT (0.44) NOTUMTSHRALDH1A1KDM4ELMNA
SCHEMBL27312206 0.84 TSHR (0.53) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL11446278 0.83 TSHR (0.41) NOTUMTSHRALDH1A1KDM4EHPGD
SCHEMBL13254942 0.83 PARP1 (0.45) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3111073 0.82 AR (0.42) NOTUMKDM4EHSD17B10CYP1A2
SCHEMBL27532725 0.82 AKR1C3 (0.47) NOTUMTSHRALDH1A1MYCAKR1C3
Cyanate SCHEMBL28159664 0.82 TSHR (0.52) TSHRALDH1A1KDM4EHSD17B10HPGD

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 NOTUM 2589/4885TSHR 692/4885ALDH1A1 203/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B NOTUM 4006/4885TSHR 1008/4885ALDH1A1 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.