SCHEMBL6089975

SCHEMBL6089975

N#CSc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.61
CASP6 P55212 1/20 0.58
LMNA P02545 2/20 0.58
TSHR P16473 2/20 0.54
ALDH1A1 P00352 1/20 0.53
HCAR3 P49019 9/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL6091128 0.83 HPGD (0.59) LMNAALDH1A1MAPTMEN1HPGD
SCHEMBL1025382 0.82 APEX1 (0.69) APEX1CASP6LMNATSHRALDH1A1
SCHEMBL1025384 0.80 APEX1 (0.66) APEX1CASP6LMNATSHRALDH1A1
SCHEMBL856086 0.80 APEX1 (0.66) APEX1CASP6LMNATSHRALDH1A1
SCHEMBL3866808 0.80 APEX1 (0.66) APEX1CASP6LMNATSHRALDH1A1
SCHEMBL466008 0.78 TXNRD1 (0.66) LMNATSHRALDH1A1MAPTMEN1
SCHEMBL29350780 0.78 TXNRD1 (0.66) LMNATSHRALDH1A1MAPTMEN1
SCHEMBL28121409 0.76 TXNRD1 (0.64) LMNATSHRALDH1A1MAPTMEN1
SCHEMBL288907 0.76 CASP6 (0.64) APEX1CASP6LMNATSHRHCAR3
SCHEMBL3407384 0.76 TDP1 (0.58) TSHRALDH1A1MAPTMEN1KMT2A

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
CN-1742007-A Indole-derivative modulators of steroid hormone nuclear receptors LILLY CO ELI (US) 2006-03-01 CN 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

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 APEX1 4546/4885CASP6 4795/4885LMNA 3310/4885

“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.