SCHEMBL1708571

SCHEMBL1708571

CC(=O)OC1c2cccnc2OC1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
P2RX7 Q99572 12/20 0.33
AKR1B1 P15121 1/20 0.33
KDM4E B2RXH2 4/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX12 P18054 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A1 P04798 1/20 0.31

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
SCHEMBL27213501 0.77 POLB (0.38) POLBKDM4ECYP3A4ALOX12TDP1
SCHEMBL1707825 0.73 P2RX7 (0.32) P2RX7AKR1B1LMNASMN1; SMN2
SCHEMBL2739293 0.72 AKR1B1 (0.33) P2RX7AKR1B1
SCHEMBL30168994 0.70 P2RX7 (0.46) P2RX7
SCHEMBL10857741 0.67 POLB (0.80) POLBKDM4ETDP1ALDH1A1HPGD
SCHEMBL10794105 0.67 POLB (0.80) POLBKDM4ETDP1ALDH1A1HPGD
SCHEMBL10794108 0.67 POLB (0.80) POLBKDM4ETDP1ALDH1A1HPGD
SCHEMBL15211128 0.67 POLB (0.40) POLBCYP3A4ALDH1A1HPGDMAPT
SCHEMBL829076 0.66 POLB (0.40) POLB
SCHEMBL15211580 0.66 POLB (0.39) POLBCYP3A4ALOX12TDP1ALDH1A1

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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-05 US disclosed
EP-2440541-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-04-18 EP disclosed
WO-2010143733-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-16 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 (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-20120172351-A1 NOVEL FUSED CYCLIC COMPOUND AND USE THEREOF GPR119, INSR, GLP1R POLB 4829/4885P2RX7 671/4885AKR1B1 1990/4885

“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.