SCHEMBL23960995

SCHEMBL23960995

O=C(O)c1ccc(OC[C@H](O)CO)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 8/20 0.55
P4HA1 P13674 1/20 0.43
MIF P14174 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AR P10275 1/20 0.41
FGFR1 P11362 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
PLA2G4B P0C869 1/20 0.40
CYP4F2 P78329 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
SCHEMBL1174077 0.81 P4HTM (0.58) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL11894264 0.81 P4HTM (0.58) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL31696793 0.77 TSHR (0.46) KDM4EALDH1A1MAPK1TSHRLMNA
SCHEMBL24198673 0.77 PLA2G4B (0.61) ALDH1A1MAPK1TSHRLMNAPOLB
SCHEMBL17908101 0.77 PLA2G4B (0.61) ALDH1A1MAPK1TSHRLMNAPOLB
SCHEMBL17908021 0.77 PLA2G4B (0.61) ALDH1A1MAPK1TSHRLMNAPOLB
SCHEMBL20423660 0.76 P4HTM (0.59) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL17664583 0.76 TSHR (0.49) KDM4EMAPK1TSHRLMNAPOLB
SCHEMBL6228324 0.75 AR (0.61) KDM4EALDH1A1MAPK1TSHRLMNA
SCHEMBL17645662 0.75 TSHR (0.42) KDM4EALDH1A1MAPK1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS LLC (US) 2021-10-28 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 (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-20210332036-A1 PYRIMIDINE AND PYRAZINE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 P4HTM 1439/4885P4HA1 357/4885MIF 4153/4885

“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.