SCHEMBL4996450

SCHEMBL4996450

CC1C(=O)N(Nc2ccc(C(F)(F)F)c(Cl)n2)C(=O)C1c1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XPO1 O14980 15/20 0.51
SYK P43405 1/20 0.32
KIF11 P52732 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL4992537 0.82 XPO1 (0.68) XPO1
SCHEMBL1592513 0.78 XPO1 (0.60) XPO1
SCHEMBL1592466 0.77 XPO1 (0.57) XPO1
SCHEMBL1592934 0.74 XPO1 (0.54) XPO1
SCHEMBL4996443 0.74 XPO1 (0.53) XPO1NPC1ALDH1A1RAB9A
SCHEMBL1592428 0.73 XPO1 (0.55) XPO1
SCHEMBL3632724 0.73 XPO1 (0.52) XPO1
SCHEMBL1592518 0.72 XPO1 (0.54) XPO1
SCHEMBL1592483 0.72 XPO1 (0.56) XPO1
SCHEMBL4995593 0.72 XPO1 (0.51) XPO1

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-8084454-B2 Cell cycle G2-checkpoint-abrogating 1-[(2-pyridyl)amino]-azoline-2,5-dione derivatives with at least one halogen group, to selectively sensitize cancer cells to DNA damaging reagents without additional anticarcinogenic treatment; cytolytic agents, antiproliferatives, apoptosis CANBAS CO., LTD. (JP) 2011-12-27 US disclosed
US-20080275057-A1 Compounds with anti-cancer activity CANBAS CO., LTD. (JP) 2008-11-06 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-20080275057-A1 Compounds with anti-cancer activity CDKN1A, CDC25C, DDB1 XPO1 280/4885SYK 3578/4885KIF11 953/4885

“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.