SCHEMBL3861174

SCHEMBL3861174

O=[C]OC(C(=O)OCc1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR2A P28223 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
CYP19A1 P11511 2/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL7294874 1.00 IDO1 (0.43) IDO1MEN1KMT2APOLBMAPT
SCHEMBL10569475 0.88 MAPT (0.45) IDO1KMT2APOLBMAPTALDH1A1
SCHEMBL8716890 0.88 RAB9A (0.47) IDO1MAPTALDH1A1RAB9AHTT
SCHEMBL5481199 0.88 RAB9A (0.49) IDO1KMT2AMAPTHTR2ARAB9A
SCHEMBL9050930 0.86 MEN1 (0.43) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL4438089 0.86 GAA (0.53) MEN1KMT2AMAPTALDH1A1HTR2A
SCHEMBL7278760 0.86 GAA (0.53) MEN1KMT2AMAPTALDH1A1HTR2A
SCHEMBL7382040 0.85 MAPT (0.48) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL1413274 0.82 FABP7 (0.44) IDO1MEN1KMT2AMAPTALDH1A1
SCHEMBL5484162 0.81 ALDH1A1 (0.49) IDO1MEN1KMT2APOLBMAPT

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-7592476-B2 Process for producing enantiopure β-amino acid derivatives, and enantiopure β-amino acid derivatives SOLVAY S.A. (BE) 2009-09-22 US disclosed
US-20060211097-A1 Process for producing enantiopure beta-amino acid derivatives, and enantiopure beta-amino acid derivatives SOLVAY S.A. (BE) 2006-09-21 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-20060211097-A1 Process for producing enantiopure beta-amino acid derivatives, and enantiopure beta-amino acid derivatives LPL, CEL, IL4I1 IDO1 603/4885MEN1 4598/4885KMT2A 2546/4885

“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.