SCHEMBL13601332

SCHEMBL13601332

CCS(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.65
KMT2A Q03164 2/20 0.64
HSD17B10 Q99714 2/20 0.64
TSHR P16473 1/20 0.64
KDM4E B2RXH2 1/20 0.61
LMNA P02545 4/20 0.60
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
MAPK1 P28482 1/20 0.57
USP2 O75604 3/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 2/20 0.54
TP53 P04637 1/20 0.54
ATM Q13315 1/20 0.53

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
SCHEMBL13597674 0.83 ALDH1A1 (0.64) ALDH1A1KMT2AHSD17B10TSHRKDM4E
SCHEMBL13601328 0.74 KDM4E (0.63) ALDH1A1KDM4ELMNAMAPK1POLB
SCHEMBL2731678 0.73 KMT2A (0.54) ALDH1A1KMT2AHSD17B10TSHRLMNA
SCHEMBL20892712 0.71 MAPK1 (0.68) KMT2ATSHRLMNASMN1; SMN2MAPK1
SCHEMBL2731679 0.71 ALDH1A1 (0.57) ALDH1A1KMT2AHSD17B10TSHRLMNA
SCHEMBL2721346 0.70 ALDH1A1 (0.64) ALDH1A1KMT2ATSHRKDM4ELMNA
SCHEMBL17232502 0.70 ALDH1A1 (0.67) ALDH1A1KMT2ATSHRKDM4ELMNA
SCHEMBL13432836 0.69 MAPK1 (0.48) ALDH1A1KMT2ATSHRKDM4ESMN1; SMN2
SCHEMBL4580901 0.68 ALDH1A1 (0.49) ALDH1A1KMT2AHSD17B10TSHRLMNA
SCHEMBL17232496 0.68 ALDH1A1 (0.68) ALDH1A1KMT2ATSHRKDM4ELMNA

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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 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-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 ALDH1A1 3104/4885KMT2A 887/4885HSD17B10 3322/4885

“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.