SCHEMBL4264178

SCHEMBL4264178

NCC(=O)c1ccc2c(c1)NC(=O)CO2

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.75
MAPT P10636 5/20 0.75
PKM P14618 3/20 0.60
RXFP1 Q9HBX9 2/20 0.60
GAA P10253 2/20 0.59
KDM4E B2RXH2 1/20 0.57
CASP3 P42574 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
POLB P06746 1/20 0.57
SMYD3 Q9H7B4 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.55

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
Hydrochloric Acid SCHEMBL4265299 0.99 ALDH1A1 (0.73) ALDH1A1MAPTPKMRXFP1GAA
SCHEMBL4295545 0.86 ALDH1A1 (0.71) ALDH1A1MAPTPKMRXFP1GAA
SCHEMBL29550875 0.86 ALDH1A1 (1.00) ALDH1A1MAPTPKMRXFP1GAA
SCHEMBL532500 0.86 ALDH1A1 (1.00) ALDH1A1MAPTPKMRXFP1GAA
SCHEMBL10652999 0.86 MAPT (0.78) ALDH1A1MAPTPKMRXFP1GAA
SCHEMBL4291442 0.86 ALDH1A1 (0.75) ALDH1A1MAPTPKMRXFP1GAA
SCHEMBL31189953 0.85 ALDH1A1 (0.69) ALDH1A1MAPTPKMRXFP1GAA
SCHEMBL3443973 0.85 ALDH1A1 (0.69) ALDH1A1MAPTPKMRXFP1GAA
SCHEMBL4724873 0.84 ALDH1A1 (0.73) ALDH1A1MAPTPKMRXFP1GAA
SCHEMBL7341640 0.83 ALDH1A1 (0.71) ALDH1A1MAPTPKMRXFP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2009-02-26 US disclosed
EP-1778242-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2007-05-02 EP disclosed
WO-2006015259-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS IRM LLC (BM) 2006-02-09 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-20090054417-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS NR5A1, ESRRA, NR3C1 ALDH1A1 3483/4885MAPT 3273/4885PKM 1974/4885

“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.