SCHEMBL10327102

SCHEMBL10327102

CN1C(=O)CNC1C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.39
HSD17B2 P37059 2/20 0.39
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.35
CYP2D6 P10635 1/20 0.35
MC4R P32245 1/20 0.35

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
SCHEMBL10326158 1.00 TACR1 (0.39) TACR1HSD17B2KMT2AALDH1A1HPGD
SCHEMBL10326159 1.00 TACR1 (0.39) TACR1HSD17B2KMT2AALDH1A1HPGD
SCHEMBL10327296 0.91 HSD17B2 (0.44) HSD17B2
SCHEMBL10326376 0.91 HSD17B2 (0.44) HSD17B2
SCHEMBL10326648 0.91 HSD17B2 (0.44) HSD17B2
SCHEMBL10326375 0.87 HSD17B2 (0.47) HSD17B2ALDH1A1
SCHEMBL10326714 0.87 HSD17B2 (0.47) HSD17B2ALDH1A1
SCHEMBL10326647 0.87 HSD17B2 (0.47) HSD17B2ALDH1A1
SCHEMBL10326157 0.85 HSD17B2 (0.38) HSD17B2KMT2A
SCHEMBL10326368 0.85 HSD17B2 (0.38) HSD17B2KMT2A

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 TACR1 4141/4885HSD17B2 1447/4885KMT2A 3248/4885

“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.