SCHEMBL2901258

SCHEMBL2901258

Nc1nc(-c2ccc(C(F)(F)F)cc2)co1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
HSD11B1 P28845 1/20 0.49
KIF11 P52732 4/20 0.48
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
IKBKB O14920 1/20 0.42
TLR8 Q9NR97 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
ADORA2A P29274 1/20 0.40
PIM1 P11309 1/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
HEXA P06865 1/20 0.40
HEXB P07686 1/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL6238840 0.82 XDH (0.52) KDM4EIKBKBTLR8ADORA2AKDM1A
SCHEMBL2056137 0.80 ENPP3 (0.62) HSD11B1KIF11KMT2A
SCHEMBL16217977 0.80 S1PR1 (0.45) LTA4HHSD11B1KIF11KDM4EMEN1
SCHEMBL29620904 0.80 NPSR1 (0.44) LTA4HHSD11B1KIF11KDM4EKMT2A
SCHEMBL6238252 0.78 LTA4H (0.37) LTA4HHSD11B1KDM4EIKBKBADORA2A
Hydrochloric Acid SCHEMBL16210756 0.78 S1PR1 (0.44) LTA4HHSD11B1KIF11KDM4EMEN1
SCHEMBL6234051 0.77 ALOX5AP (0.43) KDM4EFBP1
SCHEMBL8110983 0.77 MPL (0.58) LTA4HKDM1A
SCHEMBL17548467 0.77 LTA4H (0.56) LTA4HKDM4EMEN1KMT2ANPSR1
SCHEMBL6603647 0.77 LTA4H (0.81) LTA4HKDM4EMEN1KMT2AADORA2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450281-B Inhibitor compounds 辛塞拉治疗私人有限公司 2024-08-16 CN disclosed
CN-112480018-B TRPV3 small molecule allosteric inhibitor and preparation method thereof 中国药科大学 2023-06-20 CN disclosed
US-20220274970-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-09-01 US disclosed
EP-4003986-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2022-06-01 EP disclosed
CN-114450281-A Inhibitor compounds 辛塞拉治疗私人有限公司 2022-05-06 CN disclosed
WO-2021012018-A1 INHIBITOR COMPOUNDS Cincera Therapeutics Pty Ltd (AU) 2021-01-28 WO disclosed
EP-1951692-B1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-08-18 EP disclosed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US disclosed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US disclosed
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2010-02-25 US disclosed
EP-1951692-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2008-08-06 EP disclosed
WO-2007056496-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR IRM LLC (BM) 2007-05-18 WO 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-20220274970-A1 INHIBITOR COMPOUNDS SERPINB1, MMP1, SSB LTA4H 1033/4885HSD11B1 843/4885KIF11 4192/4885
US-20100048453-A1 OXAZOLE AND THIAZOLE PPAR MODULATOR PPARD, PPARG, PPARA LTA4H 1909/4885HSD11B1 316/4885KIF11 3955/4885

“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.