SCHEMBL15075712

SCHEMBL15075712

Cc1ccc(CNC(=O)CC(=N)c2c(N)n(C)c(=O)n(C)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
CYP3A4 P08684 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 6/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
POLB P06746 1/20 0.42
ESR2 Q92731 1/20 0.42
GLA P06280 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL10151077 0.85 MAPT (0.43) MAPTCYP3A4NPSR1ALDH1A1LMNA
SCHEMBL19036397 0.67 CYP3A4 (0.48) CYP3A4NPSR1ALDH1A1LMNAKDM4E
SCHEMBL12584223 0.66 LMNA (0.71) CYP3A4LMNARXFP1KMT2AMEN1
SCHEMBL18235894 0.66 CA1 (0.62) ALDH1A1LMNAKDM4EPOLBKMT2A
SCHEMBL25567577 0.66 KMT2A (0.60) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL20161977 0.66 ALDH1A1 (0.51) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL14679398 0.65 CA1 (0.64) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL19036578 0.65 LMNA (0.46) MAPTCYP3A4NPSR1ALDH1A1LMNA
SCHEMBL12326826 0.64 KMT2A (0.62) ALDH1A1LMNAPOLBKMT2AMEN1
SCHEMBL13932527 0.64 KMT2A (0.83) ALDH1A1LMNARXFP1POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 EP disclosed
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPT 2844/4885CYP3A4 2741/4885NPSR1 1396/4885

“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.