SCHEMBL29488337

SCHEMBL29488337

O=C(O)c1cccnc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 2/20 0.58
KDM4E B2RXH2 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 2/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
BLM P54132 1/20 0.55
AGER Q15109 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
DHODH Q02127 6/20 0.49
HDAC6 Q9UBN7 2/20 0.49
MEN1 O00255 1/20 0.49
GMNN O75496 1/20 0.49
TTR P02766 1/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL413572 1.00 NAPRT (0.58) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL27764496 0.86 HDAC6 (0.50) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL3934370 0.85 NAPRT (0.55) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL8686505 0.84 LMNA (0.46) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL30477668 0.83 HDAC6 (0.48) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL2148942 0.83 HDAC6 (0.48) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL18033657 0.83 HDAC6 (0.48) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL628397 0.83 PARP1 (0.51) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL29687007 0.83 PARP1 (0.51) NAPRTKDM4ETDP1ALDH1A1CYP3A4
SCHEMBL29058517 0.83 SMN1; SMN2 (0.53) NAPRTKDM4ETDP1ALDH1A1CYP3A4

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 9 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
CN-120025312-A Benzazepine derivatives 大塚制药株式会社 2025-05-23 CN disclosed
CN-117751114-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-22 CN disclosed
EP-4329880-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
CN-117642385-A Pesticidally active cyclic amine compounds 先正达农作物保护股份公司 2024-03-01 CN disclosed
US-20230382911-A1 PYRAZOLEAMIDE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-11-30 US disclosed
EP-4087841-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Crop Protection AG (CH) 2022-11-16 EP disclosed
WO-2022232360-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 WO disclosed
CN-114206856-A Anti-malarial hexahydropyrimidine analogues UCB生物制药有限责任公司 2022-03-18 CN 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 NAPRT 1184/4885KDM4E 2850/4885TDP1 1999/4885
US-12630549-B2 Pyrazoleamide derivatives CYP11B2, CYP11B1, ADRA1B NAPRT 4013/4885KDM4E 3127/4885TDP1 1930/4885

“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.