SCHEMBL10495441

SCHEMBL10495441

Cc1c(Cl)cc(Cl)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
RECQL P46063 1/20 0.38
ERN1 O75460 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
AHR P35869 5/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA9 Q16790 1/20 0.30
AMY1A P0DUB6 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
SCHEMBL30494020 1.00 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL12535917 0.86 TSHR (0.41) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL4448671 0.81 NMT1 (0.39) ALDH1A1TSHRCYP3A4AHRHPGD
SCHEMBL98117 0.80 ALDH1A1 (0.53) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL12925873 0.79 CES1 (0.36) ALDH1A1TSHRCYP3A4ERN1RAPGEF4
SCHEMBL28514732 0.77 ALDH1A1 (0.50) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL24616492 0.75 CYP3A4 (0.52) ALDH1A1TSHRCYP3A4AHRTP53
SCHEMBL22265090 0.75 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10CYP3A4RECQL
SCHEMBL22265086 0.75 CYP3A4 (0.46) ALDH1A1TSHRHSD17B10CYP3A4HPGD
SCHEMBL22265085 0.75 CA1 (0.32) AHRCA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YROK (US) 2023-09-19 US disclosed
EP-3468961-B1 5-[3-[PIPERIDIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2020-06-10 EP disclosed
US-10550100-B2 5-[3-[piperzin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating E.G. osteoarthritis GALAPAGOS NV (BE) 2020-02-04 US disclosed
US-20190300503-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-10-03 US disclosed
US-4877801-A 1-Aryl-1-(1H-azol-1-ylalkyl)-1,3-dihydroisobenzofurans, related derivatives and pharmaceutical compositions thereof useful as antifungals SCHERING CORPORATION (US) 1989-10-31 US disclosed
US-4737508-A 1-aryl-1-(1H-azol-1-ylalkyl)-1,3-dihydroisobenzofurans, related derivatives and pharmaceutical compositions thereof useful as antifungals SCHERING CORPORATION (US) 1988-04-12 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 (3 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-20190300503-A1 5-[3-[PIPERAZIN-1-YL]-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS 4 AND 5 INHIBITORS FOR TREATING E.G. OSTEOARTHRITIS ADAMTS5, ADAMTS4, ADAMTS1 ALDH1A1 968/4885TSHR 3125/4885HSD17B10 2672/4885
US-11760701-B2 Difluoromethoxylation and trifluoromethoxylation compositions and methods for synthesizing same AFF2, AFF4, AFF1 ALDH1A1 1490/4885TSHR 2337/4885HSD17B10 1491/4885
US-10550100-B2 5-[3-[piperzin-1-yl]-3-oxo-propyl]-imidazolidine-2,4-dione derivatives as ADAMTS 4 and 5 inhibitors for treating E.G. osteoarthritis ADAMTS5, ADAMTS4, ADAMTS1 ALDH1A1 616/4885TSHR 3171/4885HSD17B10 2587/4885

“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.