SCHEMBL4870077

SCHEMBL4870077

CC[C@H](Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.45
MAPT P10636 4/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
RECQL P46063 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL4869095 0.90 HCAR3 (0.54) HCAR3MAPTALDH1A1GAAKDM4E
SCHEMBL17673301 0.85 NPSR1 (0.50) HCAR3MAPTHTTALDH1A1GAA
SCHEMBL4863985 0.85 ALDH1A1 (0.47) HCAR3MAPTHTTALDH1A1GAA
SCHEMBL4868077 0.85 ALDH1A1 (0.47) HCAR3MAPTHTTALDH1A1GAA
SCHEMBL6541574 0.82 ALDH1A1 (0.56) HCAR3MAPTALDH1A1KDM4EAKR1C2
SCHEMBL15822564 0.82 ALDH1A1 (0.56) HCAR3MAPTALDH1A1KDM4EAKR1C2
SCHEMBL6541569 0.82 ALDH1A1 (0.56) HCAR3MAPTALDH1A1KDM4EAKR1C2
SCHEMBL28062163 0.81 KMT2A (0.53) HCAR3MAPTALDH1A1GAAKDM4E
SCHEMBL17749673 0.79 HCAR3 (0.48) HCAR3MAPTHTTALDH1A1GAA
SCHEMBL17749686 0.79 HCAR3 (0.48) HCAR3MAPTHTTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351709-B2 Estrogen receptor ligands WYETH (US) 2008-04-01 US disclosed
US-20060019961-A1 Estrogen receptor ligands WYETH 2006-01-26 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-20060019961-A1 Estrogen receptor ligands GPER1, ESR2, ESR1 HCAR3 57/4885MAPT 3994/4885HTT 3857/4885

“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.