SCHEMBL27192516

SCHEMBL27192516

Bc1cc(Cl)c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
KDM1B Q8NB78 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.35
GPR84 Q9NQS5 1/20 0.33
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL23351729 0.84 KDM1A (0.48) KDM1AKDM1BALDH1A1TDP1MAPT
SCHEMBL23557091 0.82 ALDH1A1 (0.39) KDM1AKDM1BALDH1A1TDP1MAPT
SCHEMBL29362089 0.78 KDM1A (0.44) KDM1AKDM1BALDH1A1TDP1MAPT
SCHEMBL811929 0.78 KDM1A (0.44) KDM1AKDM1BALDH1A1TDP1MAPT
SCHEMBL7940907 0.78 AHR (0.44) KDM1AKDM1BALDH1A1TDP1MAPT
SCHEMBL14396118 0.76 HSD17B10 (0.36) KDM1AKDM1BALDH1A1TDP1MAPT
SCHEMBL23716731 0.74 HTR2A (0.37) KDM1AMAPTHTT
SCHEMBL13330784 0.74 GAA (0.43) KDM1AKDM1BALDH1A1TDP1
SCHEMBL7534006 0.74 ALDH1A1 (0.46) KDM1AKDM1BALDH1A1TDP1MAPT
SCHEMBL23655699 0.70 RAPGEF4 (0.36) KDM1AKDM1BALDH1A1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 US 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-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE KDM1A 2773/4885KDM1B 1972/4885ALDH1A1 3259/4885

“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.