SCHEMBL6100616

SCHEMBL6100616

O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.64
CYP3A4 P08684 3/20 0.64
CYP2C9 P11712 2/20 0.64
EGFR P00533 3/20 0.61
TP53 P04637 2/20 0.56
TRPA1 O75762 1/20 0.55
TRPM2 O94759 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MEN1 O00255 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
AURKA O14965 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
SCHEMBL6100618 0.84 EGFR (0.56) KMT2AEGFRTRPA1SMN1; SMN2MEN1
SCHEMBL8060535 0.82 TRPA1 (0.59) KMT2ACYP3A4CYP2C9EGFRTP53
SCHEMBL6097501 0.82 KMT2A (0.72) KMT2ACYP3A4CYP2C9TRPA1TRPM2
SCHEMBL8060537 0.82 TRPA1 (0.59) KMT2ACYP3A4CYP2C9EGFRTP53
SCHEMBL6525728 0.79 TRPM2 (0.76) KMT2ACYP3A4CYP2C9TP53TRPA1
SCHEMBL6525729 0.79 TRPM2 (0.76) KMT2ACYP3A4CYP2C9TP53TRPA1
SCHEMBL20560652 0.78 CRHBP (0.58) KMT2ACYP3A4CYP2C9EGFRTP53
SCHEMBL8048848 0.78 KCNK2 (0.61) KMT2ACYP3A4CYP2C9EGFRTP53
SCHEMBL8048849 0.78 KCNK2 (0.61) KMT2ACYP3A4CYP2C9EGFRTP53
SCHEMBL6097513 0.77 MAPT (0.58) KMT2ACYP3A4CYP2C9EGFRTP53

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 3 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
WO-2003043961-A2 MODULATORS OF RHO C ACTIVITY ICONIX PHARMACEUTICALS, INC. (US) 2003-05-30 WO 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 KMT2A 3564/4885CYP3A4 2850/4885CYP2C9 2362/4885

“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.