SCHEMBL6100618

SCHEMBL6100618

O=C(C=Cc1ccccc1[N+](=O)[O-])Nc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.56
MEN1 O00255 8/20 0.53
KMT2A Q03164 8/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
MAPT P10636 5/20 0.53
RAB9A P51151 5/20 0.53
KDM4E B2RXH2 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
ALDH1A1 P00352 6/20 0.52
TRPA1 O75762 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
KCNMA1 Q12791 1/20 0.52
LMNA P02545 4/20 0.52
POLB P06746 3/20 0.51
ATM Q13315 1/20 0.51
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 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
SCHEMBL8064094 0.84 MEN1 (0.61) EGFRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8064096 0.84 MEN1 (0.61) EGFRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6100616 0.84 KMT2A (0.64) EGFRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6097507 0.82 MEN1 (0.75) MEN1KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL8048921 0.80 MEN1 (0.61) EGFRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8048925 0.80 MEN1 (0.61) EGFRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6526030 0.79 MAPT (0.70) MEN1KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL6526033 0.79 MAPT (0.70) MEN1KMT2ANPC1SMN1; SMN2MAPT
SCHEMBL7163306 0.76 CRHBP (0.70) EGFRMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL641132 0.74 PHGDH (0.67) MEN1KMT2ANPC1RAB9AALDH1A1

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 EGFR 2953/4885MEN1 4684/4885KMT2A 3564/4885

“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.