SCHEMBL6095640

SCHEMBL6095640

COc1ccc(C=CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1Br

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.65
KMT2A Q03164 4/20 0.65
ALDH1A1 P00352 4/20 0.65
HPGD P15428 4/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
KDM4E B2RXH2 3/20 0.65
TP53 P04637 2/20 0.65
CYP3A4 P08684 2/20 0.65
HIF1A Q16665 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
PKM P14618 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
HSD17B10 Q99714 1/20 0.65
ABCC4 O15439 1/20 0.65
HPGDS O60760 1/20 0.65
ABCB11 O95342 1/20 0.65

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
SCHEMBL20456509 0.89 MEN1 (0.81) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL20456508 0.89 MEN1 (0.81) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL6097513 0.84 MAPT (0.58) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL8643612 0.81 ALDH1A1 (0.79) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL8643623 0.81 ALDH1A1 (0.79) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL20455889 0.81 MEN1 (0.81) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL20455973 0.81 MEN1 (0.81) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL8638786 0.79 HPGD (0.79) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL8638795 0.79 HPGD (0.79) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL6100516 0.79 HTT (0.74) MEN1KMT2ANPC1RAB9ASMN1; 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 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 MEN1 4684/4885KMT2A 3564/4885ALDH1A1 2744/4885

“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.