SCHEMBL31700545

SCHEMBL31700545

NC(=O)c1ccc(Br)c(Br)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.61
DGAT1 O75907 1/20 0.42
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.33
JAK2 O60674 1/20 0.33
BTK Q06187 1/20 0.33
METAP2 P50579 1/20 0.33
APEX1 P27695 1/20 0.32

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
SCHEMBL78614 0.80 SELL (0.52) ERN1KDM4EMAPTALDH1A1HPGD
SCHEMBL3424158 0.78 ERN1 (0.54) ERN1DGAT1KDM4EMAPTALDH1A1
SCHEMBL30211643 0.78 ERN1 (0.54) ERN1DGAT1KDM4EMAPTALDH1A1
SCHEMBL14690903 0.77 ERN1 (0.38) ERN1KDM4EMAPTALDH1A1HPGD
SCHEMBL12767106 0.76 ERN1 (1.00) ERN1DGAT1KDM4EMAPTALDH1A1
SCHEMBL7950797 0.74 AKR1B1 (0.43) ERN1DGAT1KDM4EMAPTALDH1A1
SCHEMBL10964657 0.74 ERN1 (0.43) ERN1DGAT1KDM4EMAPTALDH1A1
SCHEMBL1996333 0.74 ERN1 (0.52) ERN1DGAT1KDM4EMAPTALDH1A1
SCHEMBL31700607 0.74 ERN1 (0.52) ERN1DGAT1KDM4EMAPTALDH1A1
SCHEMBL8769707 0.74 ERN1 (0.43) ERN1DGAT1KDM4EMAPTALDH1A1

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-20250319056-A1 METHODS FOR TREATING CANCER UNIV INDIANA TRUSTEES (US) 2025-10-16 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-20250319056-A1 METHODS FOR TREATING CANCER HSP90AB1, HSP90B1, HSP90AB2P ERN1 2613/4885DGAT1 2057/4885KDM4E 3488/4885

“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.