SCHEMBL16632430

SCHEMBL16632430

COc1cc(Cl)cc(Br)c1C=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.52
ERN1 O75460 7/20 0.50
TRPV4 Q9HBA0 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 2/20 0.37
TRIM24 O15164 1/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
LMNA P02545 3/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 1/20 0.35
ACLY P53396 1/20 0.34

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
SCHEMBL15348507 0.86 ERN1 (0.58) PRKDCERN1TRPV4ALDH1A1TDP1
SCHEMBL16675873 0.83 ERN1 (0.51) PRKDCERN1TRPV4ALDH1A1TDP1
SCHEMBL349075 0.81 ERN1 (0.65) PRKDCERN1ALDH1A1TDP1TSHR
SCHEMBL16269455 0.81 PRKDC (0.55) PRKDCERN1ALDH1A1TDP1TSHR
SCHEMBL1251300 0.81 ERN1 (0.53) PRKDCERN1TRPV4ALDH1A1TDP1
SCHEMBL30230047 0.81 ERN1 (0.65) PRKDCERN1ALDH1A1TDP1TSHR
SCHEMBL23658839 0.80 ERN1 (0.54) PRKDCERN1ALDH1A1TDP1TSHR
SCHEMBL12581710 0.79 PRKDC (0.53) PRKDCERN1ALDH1A1TDP1TSHR
SCHEMBL24269759 0.79 ERN1 (0.46) PRKDCERN1ALDH1A1TDP1KDM4E
SCHEMBL24075367 0.78 KDM4E (0.43) PRKDCERN1ALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed
US-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-04-16 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-20150105351-A1 COMPOUNDS AND METHODS FOR TREATING HIV INFECTIONS POLM, POLRMT, DHFR PRKDC 3161/4885ERN1 1343/4885TRPV4 4698/4885

“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.