SCHEMBL17413754

SCHEMBL17413754

c1cncc(-c2cccc(-c3nccc4ccccc34)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 4/20 0.53
▸ CYP11B2 P19099 3/20 0.53
▸ CYP19A1 P11511 2/20 0.53
▸ CYP17A1 P05093 1/20 0.53
▸ CYP2A6 P11509 2/20 0.49
▸ KDM4E B2RXH2 7/20 0.47
▸ RAB9A P51151 6/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GLA P06280 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ PSIP1 O75475 1/20 0.46
▸ AXL P30530 1/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.46
▸ MKNK2 Q9HBH9 1/20 0.46
▸ TDO2 P48775 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46

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
SCHEMBL23542934 0.90 CYP11B1 (0.47) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL29355071 0.89 TDO2 (0.55) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL12215977 0.89 TDO2 (0.55) CYP11B1CYP11B2CYP19A1CYP17A1CYP2A6
SCHEMBL29607745 0.87 KDM4E (0.57) CYP2A6KDM4ERAB9ANPC1MAPT
SCHEMBL17449880 0.87 KDM4E (0.57) CYP2A6KDM4ERAB9ANPC1MAPT
SCHEMBL3141880 0.85 KDM4E (0.57) CYP2A6KDM4ERAB9ANPC1MAPT
SCHEMBL17413753 0.85 PDGFRB (0.45) CYP11B1KDM4ERAB9ANPC1MAPT
SCHEMBL11976498 0.84 KDM4E (0.55) CYP2A6KDM4ERAB9ANPC1MAPT
SCHEMBL11976501 0.83 KDM4E (0.48) CYP2A6KDM4ERAB9ANPC1MAPT
SCHEMBL17426492 0.81 KDM4E (0.51) CYP2A6KDM4ERAB9ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 — — US disclosed
US-20230403927-A1 AROMATIC COMPOUNDS UDC IRELAND LTD (IE) 2023-12-14 — — US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 — — US disclosed
US-11800787-B2 Metal complexes UDC IRELAND LIMITED (IE) 2023-10-24 — — US disclosed
EP-3160976-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-24 — — EP disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 — — US disclosed
US-20170141329-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-05-18 — — US disclosed
WO-2016000803-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-01-07 — — 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 (3 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-20230403927-A1 AROMATIC COMPOUNDS TYR, CTCF, MITF CYP11B1 1627/4885CYP11B2 1190/4885CYP19A1 2353/4885
US-20170141329-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 CYP11B1 2771/4885CYP11B2 2346/4885CYP19A1 4413/4885
US-11800787-B2 Metal complexes AP1M1, SOD1, AP3M1 CYP11B1 2771/4885CYP11B2 2346/4885CYP19A1 4413/4885

“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.

Send feedback