SCHEMBL3348732

SCHEMBL3348732

Cc1ccc(-n2ncc(=O)[nH]c2=O)cc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.58
ABCB11 O95342 1/20 0.46
THRB P10828 5/20 0.43
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRA P10827 1/20 0.39
SIRT3 Q9NTG7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1412845 0.88 P2RX7 (0.59) P2RX7ABCB11THRBTHRAMEN1
SCHEMBL3346080 0.84 P2RX7 (0.47) P2RX7ABCB11THRBLMNARAB9A
SCHEMBL3348736 0.81 P2RX7 (0.48) P2RX7ABCB11THRBLMNASMN1; SMN2
SCHEMBL3342520 0.79 P2RX7 (0.47) P2RX7LMNARAB9ASMN1; SMN2SIRT3
SCHEMBL6169134 0.79 P2RX7 (0.51) P2RX7ABCB11THRBTHRAKMT2A
SCHEMBL3346920 0.78 RAB9A (0.45) P2RX7LMNARAB9ASMN1; SMN2SIRT3
SCHEMBL3340313 0.78 CRBN (0.46) P2RX7LMNARAB9ASMN1; SMN2SIRT3
SCHEMBL30504582 0.78 THRB (0.58) P2RX7ABCB11THRBLMNASMN1; SMN2
SCHEMBL8961567 0.78 THRB (0.58) P2RX7ABCB11THRBLMNASMN1; SMN2
SCHEMBL30504581 0.78 THRB (0.58) P2RX7ABCB11THRBLMNASMN1; SMN2

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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 P2RX7 8/4885ABCB11 1044/4885THRB 1894/4885

“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.