SCHEMBL18015491

SCHEMBL18015491

Cc1cc(-c2ccccc2)ncc1-c1ccccc1-c1cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)cc(-c2ccccc2-c2ccc(-c3ccccc3)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.54
HPGDS O60760 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
DHODH Q02127 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 3/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DYRK1A Q13627 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL18015375 1.00 LDHA (0.54) LDHAHPGDSHSD17B1HSD17B2DHODH
SCHEMBL21125949 1.00 LDHA (0.54) LDHAHPGDSHSD17B1HSD17B2DHODH
SCHEMBL23956262 0.95 LDHA (0.49) LDHAHPGDSHSD17B1HSD17B2DHODH
SCHEMBL18015476 0.92 LDHA (0.57) LDHACYP11B1CYP11B2CYP3A4RAB9A
SCHEMBL23956232 0.91 HSD17B1 (0.56) LDHAHSD17B1HSD17B2DYRK1AIDO1
SCHEMBL23956256 0.88 LDHA (0.54) LDHACYP3A4RAB9ANPC1PDGFRB
SCHEMBL23956296 0.88 LDHA (0.50) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL19794446 0.88 LDHA (0.53) LDHACYP11B1CYP11B2CYP3A4RAB9A
SCHEMBL18015596 0.88 LDHA (0.53) LDHACYP11B1CYP11B2CYP3A4RAB9A
SCHEMBL23956346 0.88 NPC1 (0.45) LDHACYP11B1CYP11B2CYP3A4RAB9A

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
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
WO-2021013775-A1 METHOD FOR PRODUCING ORTHO-METALLATED METAL COMPOUNDS MERCK PATENT GMBH (DE) 2021-01-28 WO 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
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC LDHA 2726/4885HPGDS 4832/4885HSD17B1 4860/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LDHA 1917/4885HPGDS 4844/4885HSD17B1 4527/4885

“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.