SCHEMBL6503903

SCHEMBL6503903

Cc1c(CC(C)NC(=O)O)cncc1-c1ccc2c(c1)c(-c1ncc(C(=O)NCCC3=CCCCC3)[nH]1)nn2C1CCCCO1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 5/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
LMNA P02545 5/20 0.32
MAPT P10636 6/20 0.32
TP53 P04637 5/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
HTT P42858 3/20 0.31
ALOX15 P16050 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
USP2 O75604 2/20 0.31
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TSHR P16473 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
SCHEMBL6503887 0.89 MAPT (0.33) TDP1ALDH1A1MEN1KMT2AGAA
SCHEMBL6506730 0.88 RXRA (0.31) RXRARXRBRXRG
SCHEMBL6508264 0.88 RAB9A (0.34) ALDH1A1SMN1; SMN2MAPTRXRARXRB
SCHEMBL6508973 0.84 RXRA (0.32) RXRARXRBRXRG
SCHEMBL6508798 0.84 RXRA (0.32) RXRARXRBRXRG
SCHEMBL6510743 0.84 CNR2 (0.31) RXRARXRBRXRG
SCHEMBL6505523 0.83 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6505103 0.83 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6508398 0.83 RXRA (0.31) RXRARXRBRXRG
SCHEMBL6505430 0.83 RXRA (0.31) RXRARXRBRXRG

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 TDP1 883/4885ALDH1A1 3447/4885MEN1 3564/4885

“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.