SCHEMBL19780959

SCHEMBL19780959

O=C(Oc1ccc(-c2ccccn2)cc1)C1CC(C(=O)Oc2ccc(-c3ccccn3)cc2)CC(C(=O)Oc2ccc(-c3ccccn3)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.43
ABL1 P00519 3/20 0.43
BCR P11274 2/20 0.43
SLC6A7 Q99884 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL19780648 0.80 LDHA (0.45) ELANESMN1; SMN2KMT2AHTTTDP1
SCHEMBL21477388 0.79 LDHA (0.47) ELANESMN1; SMN2KMT2AHTTTDP1
SCHEMBL21477395 0.79 NPC1 (0.55) ELANESMN1; SMN2KMT2ANPC1MAPT
SCHEMBL21477407 0.79 ABL1 (0.47) ELANESMN1; SMN2KMT2ANPC1MAPT
SCHEMBL6590103 0.78 LMNA (0.57) ELANECYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL29177459 0.78 CYP1A2 (0.51) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL19780744 0.77 TP53 (0.49) ELANESMN1; SMN2KMT2ANPC1TP53
SCHEMBL13458077 0.77 LMNA (0.56) ELANECYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL21477355 0.76 NPC1 (0.55) ELANECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21480916 0.76 TRPV1 (0.46) CYP1A2CYP2D6CYP2C9CYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
WO-2018011186-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-18 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-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ELANE 931/4885CYP1A2 3726/4885CYP2D6 2610/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 ELANE 931/4885CYP1A2 3726/4885CYP2D6 2610/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 ELANE 931/4885CYP1A2 3726/4885CYP2D6 2610/4885

“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.