SCHEMBL21390627

SCHEMBL21390627

Oc1cccc(-c2cc(-c3ccccc3)ccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.60
HSD17B2 P37059 10/20 0.60
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 1/20 0.55
MAPKAPK2 P49137 1/20 0.50
CYP19A1 P11511 2/20 0.49
KDM1A O60341 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
FYN P06241 1/20 0.47
CYP17A1 P05093 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46
KMO O15229 1/20 0.45
METAP2 P50579 1/20 0.45

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
SCHEMBL20418316 0.87 HSD17B1 (0.49) HSD17B1HSD17B2CYP3A4CYP2C9ASIC3
SCHEMBL28116354 0.87 ASIC3 (0.53) HSD17B1HSD17B2ASIC3KMO
SCHEMBL12408985 0.87 ASIC3 (0.53) HSD17B1HSD17B2ASIC3KMO
SCHEMBL25633157 0.85 ASIC3 (0.52) HSD17B1HSD17B2ASIC3KMO
SCHEMBL912763 0.82 ASIC3 (0.63) MAPKAPK2ASIC3
SCHEMBL29578028 0.82 ASIC3 (0.63) MAPKAPK2ASIC3
SCHEMBL24291931 0.81 ASIC3 (0.61) MAPKAPK2ASIC3
SCHEMBL17694751 0.81 ASIC3 (0.61) MAPKAPK2ASIC3
SCHEMBL29794052 0.81 ASIC3 (0.61) MAPKAPK2ASIC3
SCHEMBL29854571 0.81 ASIC3 (0.61) MAPKAPK2ASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11917903-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-11917903-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-20210111345-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2021-04-15 US disclosed
WO-2019179909-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-09-26 WO 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 (2 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-20210111345-A1 METAL COMPLEXES NCLN, BICRA, AP3M1 HSD17B1 4561/4885HSD17B2 4525/4885CYP3A4 2923/4885
US-11917903-B2 Metal complexes NCLN, BICRA, AP3M1 HSD17B1 4561/4885HSD17B2 4525/4885CYP3A4 2923/4885

“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.