SCHEMBL6098875

SCHEMBL6098875

COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1Br

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.71
LMNA P02545 5/20 0.71
TP53 P04637 4/20 0.71
MEN1 O00255 9/20 0.68
KMT2A Q03164 9/20 0.68
GLA P06280 1/20 0.67
PKM P14618 1/20 0.67
MCL1 Q07820 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
POLB P06746 3/20 0.65
GAA P10253 3/20 0.65
PSMD14 O00487 1/20 0.65
PSEN1 P49768 1/20 0.65
PSEN2 P49810 1/20 0.65
KCNH2 Q12809 1/20 0.65
APH1B Q8WW43 1/20 0.65
NCSTN Q92542 1/20 0.65
APH1A Q96BI3 1/20 0.65
PSENEN Q9NZ42 1/20 0.65
KDM4E B2RXH2 3/20 0.64

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
SCHEMBL6098584 1.00 MAPT (0.71) MAPTLMNATP53MEN1KMT2A
SCHEMBL4973398 0.89 MAPT (0.88) MAPTLMNATP53MEN1KMT2A
SCHEMBL4973403 0.89 MAPT (0.88) MAPTLMNATP53MEN1KMT2A
Hydrochloric Acid SCHEMBL1963370 0.88 MAPT (0.86) MAPTLMNATP53MEN1KMT2A
Hydrochloric Acid SCHEMBL1963371 0.88 MAPT (0.86) MAPTLMNATP53MEN1KMT2A
SCHEMBL1963685 0.87 MEN1 (0.88) MAPTLMNATP53MEN1KMT2A
SCHEMBL1963682 0.87 MEN1 (0.88) MAPTLMNATP53MEN1KMT2A
SCHEMBL6098152 0.85 MEN1 (0.58) MAPTLMNATP53MEN1KMT2A
SCHEMBL6098154 0.85 MEN1 (0.58) MAPTLMNATP53MEN1KMT2A
SCHEMBL1961880 0.83 MEN1 (0.87) MAPTLMNATP53MEN1KMT2A

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 4 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
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 MAPT 4401/4885LMNA 1327/4885TP53 4305/4885

“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.