SCHEMBL865039

SCHEMBL865039

On1c(=S)ccc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
DAO P14920 2/20 0.42
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ESR1 P03372 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MMP3 P08254 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 0.38
LOX P28300 1/20 0.38
ADRA1A P35348 1/20 0.38
GFER P55789 1/20 0.38
LOXL3 P58215 1/20 0.38
LOXL4 Q96JB6 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CA12 O43570 3/20 0.38
CA9 Q16790 3/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL271495 0.73 CA12 (0.63) ALDH1A1MAPTDAORAB9AKDM4E
SCHEMBL2332129 0.73 MAPT (1.00) ALDH1A1MAPTDAOKDM4ECA12
SCHEMBL31064866 0.65 DAO (0.53) ALDH1A1MAPTDAOKDM4ENOTUM
SCHEMBL49098 0.65 DAO (0.53) ALDH1A1MAPTDAOKDM4ENOTUM
SCHEMBL3008864 0.64 DAO (0.52) ALDH1A1MAPTDAORAB9AKDM4E
SCHEMBL29363836 0.64 CDK4 (0.50) ALDH1A1RAB9ACDK4CCND1NOTUM
SCHEMBL10857 0.64 CDK4 (0.50) ALDH1A1RAB9ACDK4CCND1NOTUM
SCHEMBL5638322 0.62 TSHR (0.58) ALDH1A1DAORAB9ACDK4CCND1
Iodide SCHEMBL30440525 0.62 CDK4 (0.48) ALDH1A1RAB9ACDK4CCND1NOTUM
Water SCHEMBL7404361 0.62 CDK4 (0.48) ALDH1A1RAB9AKDM4ECDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55036444-A None JP disclosed
US-20120077792-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-03-29 US disclosed
JP-S5536444-A THIOCARBOSTYRIL DERIVATIVE OTSUKA PHARMACEUT CO LTD 1980-03-14 JP 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 (1 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-20120077792-A1 LANTHANIDE METAL COMPLEXES USEFUL IN TREATING CANCER IAPP, RNASE1, LETM1 ALDH1A1 1522/4885MAPT 3718/4885DAO 3201/4885

“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.