SCHEMBL10327296

SCHEMBL10327296

CN1C(=O)CNC1C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 5/20 0.44
BRD4 O60885 1/20 0.39
PTGS2 P35354 1/20 0.39
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
ADAM17 P78536 1/20 0.36
PARL Q9H300 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
SCHEMBL10326376 1.00 HSD17B2 (0.44) HSD17B2BRD4PTGS2MMP1MMP2
SCHEMBL10326648 1.00 HSD17B2 (0.44) HSD17B2BRD4PTGS2MMP1MMP2
SCHEMBL10326158 0.91 TACR1 (0.39) HSD17B2
SCHEMBL10326159 0.91 TACR1 (0.39) HSD17B2
SCHEMBL10327102 0.91 TACR1 (0.39) HSD17B2
SCHEMBL10326716 0.89 HSD17B2 (0.40) HSD17B2BRD4MMP1MMP2MMP3
SCHEMBL10326735 0.89 HSD17B2 (0.40) HSD17B2BRD4MMP1MMP2MMP3
SCHEMBL10326715 0.89 HSD17B2 (0.40) HSD17B2BRD4MMP1MMP2MMP3
SCHEMBL10326375 0.87 HSD17B2 (0.47) HSD17B2BRD4
SCHEMBL10326714 0.87 HSD17B2 (0.47) HSD17B2BRD4

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
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-12-23 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-20100324338-A1 CATALYST FOR ASYMMETRIC HYDROGENATION H1-0, H1-5, ADH5 HSD17B2 1447/4885BRD4 4295/4885PTGS2 1134/4885

“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.