SCHEMBL4205393

SCHEMBL4205393

C[C@H](Nc1ccc([N+](=O)[O-])cc1C(=O)O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.70
CRHR2 Q13324 1/20 0.70
MAPT P10636 8/20 0.62
CTSV O60911 2/20 0.61
CTSL P07711 2/20 0.61
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
GAA P10253 2/20 0.57
MYC P01106 1/20 0.55
MAX P61244 1/20 0.55
KDM4E B2RXH2 1/20 0.54
ASPH Q12797 1/20 0.54
RIOX2 Q8IUF8 1/20 0.54
KDM8 Q8N371 1/20 0.54
ALDH1A1 P00352 3/20 0.53
LMNA P02545 3/20 0.53
CDK2 P24941 2/20 0.53
NPC1 O15118 1/20 0.53
TRPA1 O75762 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL4214475 1.00 CRHBP (0.70) CRHBPCRHR2MAPTCTSVCTSL
SCHEMBL9834480 1.00 CRHBP (0.70) CRHBPCRHR2MAPTCTSVCTSL
SCHEMBL9838079 0.89 MAPT (0.58) CRHBPCRHR2MAPTCTSVCTSL
SCHEMBL9835884 0.87 CTSV (0.67) CRHBPCRHR2MAPTCTSVCTSL
SCHEMBL9837463 0.85 MPO (0.56) CRHBPCRHR2MAPTCTSVCTSL
SCHEMBL17434401 0.85 MAPT (0.70) MAPTCTSVCTSLKMT2AMEN1
SCHEMBL9837491 0.84 KMT2A (0.58) CRHBPCRHR2MAPTCTSVCTSL
SCHEMBL3462623 0.84 MAPT (0.58) CRHBPCRHR2MAPTCTSVCTSL
SCHEMBL9837317 0.83 ANO1 (0.57) CRHBPCRHR2MAPTCTSVCTSL
SCHEMBL9837846 0.82 CTSV (0.56) CRHBPCRHR2MAPTCTSVCTSL

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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 US disclosed
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 CRHBP 3480/4885CRHR2 2433/4885MAPT 6/4885

“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.