SCHEMBL6097507

SCHEMBL6097507

O=C(C=Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)Nc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.75
KMT2A Q03164 11/20 0.75
MAPT P10636 10/20 0.75
NPC1 O15118 6/20 0.75
SMN1; SMN2 Q16637 6/20 0.75
RAB9A P51151 5/20 0.75
NFKB1 P19838 2/20 0.75
NFKB2 Q00653 2/20 0.75
RELA Q04206 2/20 0.75
KDM4E B2RXH2 1/20 0.75
HTT P42858 1/20 0.60
RECQL P46063 1/20 0.60
ALDH1A1 P00352 8/20 0.58
TP53 P04637 1/20 0.58
PKM P14618 1/20 0.58
LMNA P02545 5/20 0.58
POLB P06746 3/20 0.55
MAPK1 P28482 1/20 0.55
ATM Q13315 2/20 0.54
TRPA1 O75762 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
SCHEMBL6526030 0.88 MAPT (0.70) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL6526033 0.88 MAPT (0.70) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL6100618 0.82 EGFR (0.56) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL6097501 0.81 KMT2A (0.72) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL6100516 0.81 HTT (0.74) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL6100523 0.81 HTT (0.74) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL8064096 0.77 MEN1 (0.61) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL8064094 0.77 MEN1 (0.61) MEN1KMT2AMAPTNPC1SMN1; SMN2
SCHEMBL995085 0.77 GAA (0.77) MEN1KMT2AMAPTSMN1; SMN2RAB9A
SCHEMBL8060517 0.75 MEN1 (0.77) MEN1KMT2AMAPTNPC1SMN1; SMN2

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-7053216-B2 Modulators of Rho C activity ICONIX PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20030171387-A1 Modulators of Rho C activity ENTELOS HOLDING CORP. 2003-09-11 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-20030171387-A1 Modulators of Rho C activity RHOC, ROCK1, CIT MEN1 4684/4885KMT2A 3564/4885MAPT 4401/4885

“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.