SCHEMBL24701720

SCHEMBL24701720

CCOCCOc1cc(N)cc(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 5/20 0.44
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
THRA P10827 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
P2RY12 Q9H244 1/20 0.33
SOD1 P00441 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 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
SCHEMBL6251418 0.83 TP53 (0.52) TP53CYP3A4TSHRALDH1A1MAPT
SCHEMBL30345364 0.83 TP53 (0.52) TP53CYP3A4TSHRALDH1A1MAPT
SCHEMBL30935166 0.82 ALDH1A1 (0.36) TP53CYP3A4TSHRALDH1A1MAPT
SCHEMBL16386132 0.82 TSHR (0.49) CYP3A4TSHRMAPTNPC1RAB9A
SCHEMBL15219240 0.77 NCF1 (0.49) NCF1TSHRALDH1A1MAPTTDP1
SCHEMBL7627497 0.77 MAPT (0.41) TSHRALDH1A1MAPTSOD1
SCHEMBL30935134 0.76 MAPT (0.51) ALDH1A1MAPT
SCHEMBL7931071 0.74 MAOB (0.54) ALDH1A1MAPTSOD1NPC1HPGD
SCHEMBL6302587 0.74 CYP3A4 (0.70) NCF1TP53CYP3A4TSHRALDH1A1
SCHEMBL9770294 0.74 NCF1 (0.44) NCF1TP53ALDH1A1MAPTTDP1

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-20230127636-A1 COMPOUNDS FOR TREATING ILK-MEDIATED DISEASES THE CLEVELAND CLINIC FOUNDATION 2023-04-27 US disclosed
US-11524945-B2 Compounds for treating ILK-mediated diseases THE CLEVELAND CLINIC FOUNDATION (US) 2022-12-13 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 (2 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-20230127636-A1 COMPOUNDS FOR TREATING ILK-MEDIATED DISEASES ILK, ITGB1, ITGA2B NCF1 1174/4885TP53 1446/4885CYP3A4 4847/4885
US-11524945-B2 Compounds for treating ILK-mediated diseases ILK, ITGB1, ITGA2B NCF1 1174/4885TP53 1446/4885CYP3A4 4847/4885

“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.