SCHEMBL6097905

SCHEMBL6097905

CCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MT-CO2 P00403 1/20 0.59
RAB9A P51151 9/20 0.58
NPC1 O15118 8/20 0.58
KDM4E B2RXH2 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
POLB P06746 1/20 0.56
PTGS2 P35354 1/20 0.54
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 2/20 0.52
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL28045659 0.89 SPR (0.53) MT-CO2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL6098448 0.86 KDM4E (0.67) MT-CO2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL28045709 0.85 RAB9A (0.48) MT-CO2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL29490827 0.83 MT-CO2 (0.59) MT-CO2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL22745917 0.83 MT-CO2 (0.59) MT-CO2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL5750887 0.83 BACE1 (0.63) MT-CO2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL3407189 0.82 RAB9A (0.63) MT-CO2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL29858570 0.82 RAB9A (0.63) MT-CO2RAB9ANPC1KDM4ESMN1; SMN2
Toluene SCHEMBL22497439 0.80 RAB9A (0.57) MT-CO2RAB9ANPC1KDM4ESMN1; SMN2
SCHEMBL17554085 0.80 NPC1 (0.81) MT-CO2RAB9ANPC1KDM4ESMN1; 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 MT-CO2 1780/4885RAB9A 52/4885NPC1 913/4885

“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.