SCHEMBL24313440

SCHEMBL24313440

O=Cc1ccc(Oc2cc(F)c(C=O)c(F)c2)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.41
SOS1 Q07889 2/20 0.40
ALDH1A1 P00352 3/20 0.37
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
LMNA P02545 3/20 0.35
ERN1 O75460 2/20 0.35
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP1A1 P04798 1/20 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
SCHEMBL24313432 0.89 PRKDC (0.41) PRKDCSOS1ALDH1A1EGFRKDR
SCHEMBL24313342 0.85 PRKDC (0.48) PRKDCALDH1A1TRIM24TYRTRIM33
SCHEMBL29558007 0.85 PRKDC (0.48) PRKDCALDH1A1TRIM24TYRTRIM33
SCHEMBL24313344 0.77 PRKDC (0.37) PRKDCALDH1A1EGFRKDRTRIM24
SCHEMBL1134249 0.77 LMNA (0.50) PRKDCSOS1ALDH1A1LMNAERN1
SCHEMBL21856143 0.75 PRKDC (0.41) PRKDCALDH1A1EGFRKDRTRIM24
SCHEMBL1134243 0.73 ALDH1A1 (0.53) PRKDCALDH1A1TRIM24TYRTRIM33
SCHEMBL756641 0.72 ALDH1A1 (0.51) ALDH1A1TRIM24TYRTRIM33LMNA
SCHEMBL437463 0.72 ALDH1A1 (0.66) PRKDCALDH1A1TRIM24TYRTRIM33
SCHEMBL6142714 0.71 ALDH1A1 (0.42) SOS1ALDH1A1TRIM24TYRTRIM33

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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2022-03-31 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-20220096441-A1 TREATMENT OF ACANTHAMOEBA OR BALAMUTHIA TROPHOZOITES AND/OR CYSTS PKD2, PKD1, MUC1 PRKDC 77/4885SOS1 1371/4885ALDH1A1 3071/4885

“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.