SCHEMBL13802467

SCHEMBL13802467

O=C(O)c1cc([N+](=O)[O-])ccc1OCc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 1/20 0.54
CTSV O60911 1/20 0.53
CTSL P07711 1/20 0.53
LMNA P02545 1/20 0.52
MRGPRX4 Q96LA9 6/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
MAPT P10636 2/20 0.49
NR4A2 P43354 1/20 0.49
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
CYP19A1 P11511 1/20 0.48
FOLH1 Q04609 1/20 0.48
PTGER1 P34995 1/20 0.48
LRRK2 Q5S007 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL1319458 0.87 CTSV (0.63) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL3814086 0.85 PTGER1 (0.64) ALDH1A1MRGPRX4RXRARXRBRXRG
SCHEMBL1648397 0.81 LRRK2 (0.67) MRGPRX4RXRARXRBRXRGNR4A2
SCHEMBL5839822 0.80 KMT2A (0.74) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL1388211 0.79 PTGER1 (0.60) MEN1KMT2AMRGPRX4RXRARXRB
SCHEMBL28834633 0.79 CYP19A1 (0.56) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL4649097 0.78 MEN1 (0.60) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL1647948 0.77 CYP19A1 (0.64) MEN1KMT2AALDH1A1CTSVCTSL
SCHEMBL31634197 0.77 MAOB (0.61) LMNARXRARXRBRXRG
SCHEMBL20581857 0.77 KMT2A (0.58) MEN1KMT2AALDH1A1CTSVCTSL

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 1 patent. 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

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 MEN1 694/4885KMT2A 2408/4885ALDH1A1 2808/4885

“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.