SCHEMBL6090659

SCHEMBL6090659

COC(=O)c1ccc(ON=C(C)C)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPT P10636 5/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
XDH P47989 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL31377264 1.00 ALDH1A1 (0.45) ALDH1A1MAPTUSP2HPGDCA12
SCHEMBL6088920 0.92 MAPT (0.42) ALDH1A1MAPTUSP2HPGDCA12
SCHEMBL8148281 0.83 CA1 (0.52) ALDH1A1MAPTUSP2HPGDCA12
SCHEMBL105391 0.82 ALDH1A1 (0.59) ALDH1A1MAPTUSP2HPGDCA12
SCHEMBL8007448 0.81 RAB9A (0.49) ALDH1A1MAPTUSP2HPGDCA12
SCHEMBL30488306 0.77 XDH (0.54) MAPTXDHLMNA
SCHEMBL5874030 0.77 ALDH1A1 (0.56) ALDH1A1MAPTHPGDXDHMRGPRX4
SCHEMBL1807138 0.77 XDH (0.54) MAPTXDHLMNA
SCHEMBL6950303 0.77 NPC1 (0.48) ALDH1A1USP2CA12CA1CA2
SCHEMBL1756642 0.76 MAPT (0.57) ALDH1A1MAPTUSP2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R ALDH1A1 1544/4885MAPT 4025/4885USP2 4074/4885

“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.