SCHEMBL20575666

SCHEMBL20575666

CCc1cc(F)c(C=O)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
PRKDC P78527 1/20 0.36
ALDH1A3 P47895 2/20 0.35
ERN1 O75460 3/20 0.33
ALDH1A1 P00352 4/20 0.32
POLB P06746 2/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
ALDH3A1 P30838 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CGAS Q8N884 1/20 0.30

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
SCHEMBL21358663 0.92 LMNA (0.41) LMNAPRKDCALDH1A3ERN1ALDH1A1
SCHEMBL20140233 0.86 LMNA (0.42) LMNAPRKDCALDH1A3ERN1ALDH1A1
SCHEMBL1315516 0.83 ERN1 (0.36) LMNAPRKDCERN1
SCHEMBL903950 0.79 GABRA1 (0.37) GABRA1GABRB2
SCHEMBL14036628 0.78 ALDH1A1 (0.34) LMNAERN1ALDH1A1POLBMAPT
SCHEMBL933374 0.77 ERN1 (0.43) LMNAPRKDCERN1
SCHEMBL29655114 0.77 ERN1 (0.43) LMNAPRKDCERN1
SCHEMBL12961324 0.77 MCL1 (0.34) LMNAERN1ALDH1A1L3MBTL1
SCHEMBL1517367 0.76 PRKDC (0.38) LMNAPRKDCERN1ALDH1A1
SCHEMBL31088903 0.76 PRKDC (0.38) LMNAPRKDCERN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 US disclosed
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 US disclosed
US-11649224-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2023-05-16 US disclosed
EP-3630748-B1 IRE1 SMALL MOLECULE INHIBITORS UNIV CORNELL (US) 2023-04-19 EP disclosed
US-20210284628-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2021-09-16 US disclosed
US-11021466-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2021-06-01 US disclosed
US-20200157079-A1 IRE1 Small Molecule Inhibitors QUENTIS THERAPEUTICS, INC. (US) 2020-05-21 US disclosed
EP-3630748-A1 IRE1 SMALL MOLECULE INHIBITORS Quentis Therapeutics, Inc. (US) 2020-04-08 EP disclosed
US-20180346446-A1 IRE1 SMALL MOLECULE INHIBITORS CORNELL UNIVERSITY 2018-12-06 US disclosed
WO-2018222918-A1 IRE1 SMALL MOLECULE INHIBITORS QUENTIS THERAPEUTICS, INC. (US) 2018-12-06 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 (5 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-20200157079-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 LMNA 2127/4885PRKDC 818/4885ALDH1A3 3909/4885
US-11021466-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 LMNA 2127/4885PRKDC 818/4885ALDH1A3 3909/4885
US-20210284628-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 LMNA 2127/4885PRKDC 818/4885ALDH1A3 3909/4885
US-11649224-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 LMNA 2127/4885PRKDC 818/4885ALDH1A3 3909/4885
US-20180346446-A1 IRE1 SMALL MOLECULE INHIBITORS XBP1, ERN2, ERN1 LMNA 2127/4885PRKDC 818/4885ALDH1A3 3909/4885

“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.