SCHEMBL447966

SCHEMBL447966

CC(=O)n1cc2ccccc2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
POLB P06746 4/20 0.42
CREBBP Q92793 3/20 0.41
BRPF1 P55201 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
ELANE P08246 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 5/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
S1PR4 O95977 1/20 0.36

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
SCHEMBL23537244 0.83 P2RX4 (0.39) NOTUMPOLBALDH1A1HPGDKDM4E
SCHEMBL887130 0.69 CREBBP (0.55) NOTUMPOLBCREBBPBRPF1BRD9
SCHEMBL8149494 0.69 CYP2A6 (0.41) BRD9ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL19234093 0.67 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EHSD17B10KMT2A
SCHEMBL18986766 0.67 LDHA (0.40) POLBALDH1A1HPGDKDM4EHSD17B10
SCHEMBL15880060 0.66 NOTUM (0.47) NOTUMPOLBELANEALDH1A1HPGD
SCHEMBL30561525 0.65 HSD17B10 (0.38) HTTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL3640203 0.65 KMT2A (0.38) POLBALDH1A1HPGDKDM4EHSD17B10
SCHEMBL1333179 0.65 HTT (0.54) NOTUMPOLBCREBBPBRPF1BRD9
SCHEMBL887129 0.65 HTT (0.54) NOTUMPOLBCREBBPBRPF1BRD9

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-2616808-B1 PROLYL ENDOPEPTIDASE PROBES STANFORD RES INST INT (US) 2015-02-25 EP disclosed
US-20120065103-A1 Prolyl Endopeptidase Probes SRI INTERNATIONAL 2012-03-15 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-20120065103-A1 Prolyl Endopeptidase Probes PREP, XPNPEP1, ANPEP NOTUM 1014/4885POLB 1942/4885CREBBP 2472/4885

“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.