SCHEMBL19794495

SCHEMBL19794495

CC(C)(C)c1nc(-c2ccc(-c3ccc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C(C)(C)C)nc(C(C)(C)C)n7)cn6)cc5)cc(-c5ccccc5-c5ccc(-c6ccc(-c7nc(C(C)(C)C)nc(C(C)(C)C)n7)cn6)cc5)c4)cc3)nc2)nc(C(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.36
ALOX5AP P20292 7/20 0.36
FEN1 P39748 7/20 0.36
CNR1 P21554 3/20 0.33
CNR2 P34972 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
LDHA P00338 1/20 0.33
TRPA1 O75762 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32

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
SCHEMBL18015528 0.91 RAB9A (0.38) HPGDSALOX5APFEN1NPC1RAB9A
SCHEMBL11976419 0.87 LDHA (0.44) HPGDSNPC1RAB9ALDHABAZ2B
SCHEMBL21662276 0.87 TRPV1 (0.39) HPGDSRAB9A
SCHEMBL19794512 0.86 HPGDS (0.36) HPGDSALOX5APFEN1NPC1RAB9A
SCHEMBL19794507 0.85 ALOX5AP (0.33) HPGDSALOX5APFEN1NPC1RAB9A
SCHEMBL19794513 0.85 MEN1 (0.40) HPGDSALOX5APFEN1NPC1RAB9A
SCHEMBL19794491 0.85 NPC1 (0.42) HPGDSALOX5APFEN1NPC1RAB9A
SCHEMBL19794503 0.84 FEN1 (0.32) HPGDSALOX5APFEN1LDHA
SCHEMBL19794492 0.84 KDM4E (0.41) HPGDSALOX5APFEN1NPC1RAB9A
SCHEMBL18015715 0.81 LMNA (0.38) HPGDSALOX5APFEN1NPC1RAB9A

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-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 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 (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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC HPGDS 4832/4885ALOX5AP 3447/4885FEN1 1267/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 HPGDS 4844/4885ALOX5AP 4001/4885FEN1 2174/4885

“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.