SCHEMBL6502144

SCHEMBL6502144

O=C(CBr)c1nn(C2CCCCO2)c2ccc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R2 O00459 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3R5 Q8WYR1 1/20 0.35
PIK3R3 Q92569 1/20 0.35
IDO1 P14902 1/20 0.34

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
SCHEMBL6507201 0.87 RXRA (0.41) RXRARXRBRXRGMAPTMAPK1
SCHEMBL6502931 0.83 ELANE (0.51) RXRARXRBRXRGMAPTMAPK1
SCHEMBL29593200 0.83 ELANE (0.51) RXRARXRBRXRGMAPTMAPK1
SCHEMBL30182911 0.81 MAPT (0.38) RXRARXRBRXRGMAPTMAPK1
SCHEMBL23219108 0.81 RXRA (0.39) RXRARXRBRXRGMAPTMAPK1
SCHEMBL21292360 0.79 PDE7A (0.41) RXRARXRBRXRGMAPK1ALDH1A1
SCHEMBL21292357 0.79 PDE7A (0.41) RXRARXRBRXRGMAPK1ALDH1A1
SCHEMBL15744178 0.79 CYP4F2 (0.39) RXRARXRBRXRGMAPTMAPK1
SCHEMBL767404 0.79 CYP4F2 (0.39) RXRARXRBRXRGMAPTMAPK1
SCHEMBL18281904 0.79 GAA (0.41) RXRARXRBRXRGMAPTMAPK1

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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation PFIZER INC 2005-04-28 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-20050090529-A1 3,5 Disubstituted indazole compounds with nitrogen-bearing 5-membered heterocycles, pharmaceutical compositions, and methods for mediating or inhibiting cell proliferation CDK3, CDK4, CDK9 RXRA 2748/4885RXRB 2441/4885RXRG 2226/4885

“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.