SCHEMBL18987129

SCHEMBL18987129

COc1c(C)c(-c2ccc(Cc3ccccc3)cc2)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
PDE10A Q9Y233 3/20 0.47
DHODH Q02127 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TSHR P16473 1/20 0.43
LTA4H P09960 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC10A2 Q12908 1/20 0.42
ADORA2A P29274 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TACR3 P29371 1/20 0.40

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
SCHEMBL23197726 0.76 POLB (0.47) POLBPDE10ADHODHL3MBTL1TDP1
SCHEMBL8514251 0.74 PDE10A (0.44) PDE10ADHODHTSHR
SCHEMBL8514255 0.74 PDE10A (0.44) PDE10ADHODHTSHR
SCHEMBL15698094 0.72 KDM4E (0.48) POLBKDM4EALDH1A1LTA4HMAPK1
SCHEMBL23999688 0.72 POLB (0.68) POLBPDE10AKDM4EALDH1A1LMNA
SCHEMBL28866146 0.71 PDE10A (0.73) PDE10ATDP1
SCHEMBL4272933 0.71 POLB (0.66) POLBL3MBTL1KDM4EALDH1A1LMNA
SCHEMBL18075813 0.70 PDE10A (0.61) PDE10ADHODHALDH1A1LMNANPSR1
SCHEMBL23197724 0.69 POLB (0.63) POLBL3MBTL1TDP1KDM4EALDH1A1
SCHEMBL23197722 0.69 POLB (0.63) POLBPDE10AL3MBTL1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US claimed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US claimed
EP-3389659-A1 COMBINATION PRODUCT Liverpool School of Tropical Medicine (GB) 2018-10-24 EP claimed
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 WO claimed
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2020-10-13 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
US-20190151305-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL TROPICAL MEDICINE (GB) 2019-05-23 US disclosed
EP-3389659-A1 COMBINATION PRODUCT Liverpool School of Tropical Medicine (GB) 2018-10-24 EP disclosed
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 WO disclosed
WO-2017103615-A1 COMBINATION PRODUCT LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2017-06-22 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-10799494-B2 Combination of respiratory electron transport chain inhibitors with a cytochrome bd inhibitor NDUFB7, NDUFB3, NDUFB5 POLB 367/4885PDE10A 2849/4885DHODH 332/4885
US-20190151305-A1 COMBINATION PRODUCT NDUFB5, NDUFB7, NDUFB10 POLB 468/4885PDE10A 2063/4885DHODH 379/4885

“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.