SCHEMBL18015686

SCHEMBL18015686

Cc1cc(-c2ccccc2)ncc1-c1cc2c(cc1-c1cc(-c3cc4c(cc3-c3cnc(-c5ccccc5)cc3C)C(C)(C)CC4(C)C)cc(-c3cc4c(cc3-c3cnc(-c5ccccc5)cc3C)C(C)(C)CC4(C)C)c1)C(C)(C)CC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
RARG P13631 3/20 0.38
RAB9A P51151 4/20 0.36
NPC1 O15118 4/20 0.36
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAP4K1 Q92918 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
RARB P10826 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
DYRK1A Q13627 1/20 0.33
IDO1 P14902 2/20 0.33

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
SCHEMBL19794437 0.88 LDHA (0.42) LDHARARGRAB9ANPC1PDGFRB
SCHEMBL19794458 0.84 RARB (0.46) LDHARARGRAB9ANPC1PDGFRB
SCHEMBL19794375 0.83 RARG (0.40) LDHARARGRAB9ANPC1KDR
SCHEMBL19794384 0.82 LDHA (0.40) LDHARARGRAB9ANPC1RARB
SCHEMBL18015476 0.78 LDHA (0.57) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL15615211 0.78 NPC1 (0.44) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL18573107 0.78 RARB (0.36) LDHARARGRARBIRAK4RXRA
SCHEMBL19794446 0.77 LDHA (0.53) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL18015596 0.77 LDHA (0.53) LDHARAB9ANPC1PDGFRBKDR
SCHEMBL19794436 0.77 RARG (0.47) LDHARARGRARBRXRARXRB

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 5 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
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 2726/4885RARG 3090/4885RAB9A 2171/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 LDHA 1917/4885RARG 3136/4885RAB9A 1433/4885

“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.