SCHEMBL2901448

SCHEMBL2901448

CSc1ccc(C(=O)C(=O)O)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.37
P4HA1 P13674 1/20 0.37
MIF P14174 1/20 0.37
MCL1 Q07820 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
PCSK9 Q8NBP7 2/20 0.36
AKR1C3 P42330 5/20 0.36
AKR1C2 P52895 5/20 0.36
AKR1C1 Q04828 2/20 0.36
HAO1 Q9UJM8 1/20 0.36
PLK1 P53350 1/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL4331572 0.85 P4HTM (0.53) P4HTMP4HA1MIFMCL1KDM4E
SCHEMBL5371986 0.81 ALDH1A1 (0.44) P4HTMP4HA1MIFMCL1KDM4E
SCHEMBL13341653 0.77 ALDH1A1 (0.44) KDM4EALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL29694969 0.76 MAPK1 (0.61) KDM4EALDH1A1PCSK9PLK1MAPK1
SCHEMBL5211462 0.76 MAPK1 (0.61) KDM4EALDH1A1PCSK9PLK1MAPK1
SCHEMBL3608608 0.76 ADORA3 (0.40) P4HTMKDM4EALDH1A1PCSK9HAO1
SCHEMBL3613594 0.74 PCSK9 (0.36) P4HTMP4HA1MIFMCL1KDM4E
SCHEMBL2656296 0.73 CYP1A2 (0.49) KDM4EALDH1A1MAPK1LMNAMEN1
SCHEMBL2653206 0.72 SMN1; SMN2 (0.37) KDM4EALDH1A1PCSK9AKR1C3AKR1C2
SCHEMBL2653201 0.72 SMN1; SMN2 (0.37) KDM4EALDH1A1PCSK9AKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318746-B2 Nitrogen-containing five-membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-27 US disclosed
US-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-2149550-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-02-03 EP 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-20100130446-A1 NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND GCKR, GCK, SLC5A1 P4HTM 2700/4885P4HA1 1933/4885MIF 1357/4885

“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.