SCHEMBL17486223

SCHEMBL17486223

CC1(C)c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccn5)n4)cn3)cc2C(C)(C)C1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGDS O60760 3/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 4/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
KLF5 Q13887 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 3/20 0.36
METAP1 P53582 1/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
WNT3A P56704 1/20 0.35
HTT P42858 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
SCHEMBL17486227 0.92 HSD17B1 (0.41) KDM4EHPGDSSMN1; SMN2RAB9ALMNA
SCHEMBL17486244 0.90 HSD17B1 (0.40) KDM4EHPGDSSMN1; SMN2RAB9ALMNA
SCHEMBL17486235 0.88 CYP3A4 (0.38) KDM4EHPGDSSMN1; SMN2RAB9ALMNA
SCHEMBL17485968 0.88 HSD17B1 (0.43) KDM4EHPGDSSMN1; SMN2RAB9ALMNA
SCHEMBL17485975 0.88 HSD17B1 (0.43) KDM4EHPGDSSMN1; SMN2RAB9ALMNA
SCHEMBL17486178 0.87 L3MBTL1 (0.47) KDM4EHPGDSSMN1; SMN2RAB9ALMNA
SCHEMBL17486270 0.86 MEN1 (0.38) KDM4EHPGDSSMN1; SMN2LMNAHPGD
SCHEMBL17486095 0.85 HSD17B1 (0.38) KDM4EHPGDSSMN1; SMN2RAB9ALMNA
SCHEMBL17485962 0.85 HSD17B1 (0.38) KDM4EHPGDSSMN1; SMN2RAB9ALMNA
SCHEMBL17486300 0.85 MEN1 (0.42) KDM4ETDP1HPGDSLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174890-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-03-13 EP disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-9853228-B2 Metal complexes MERCK PATENT GMBH (DE) 2017-12-26 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
US-20170250353-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2017-08-31 US disclosed
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 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 (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-20170250353-A1 METAL COMPLEXES SOD1, AP1M1, AP3M1 KDM4E 3816/4885TDP1 3464/4885HPGDS 4698/4885

“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.