SCHEMBL6096918

SCHEMBL6096918

CC(Br)c1nc2ccccc2c(=O)n1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
LMNA P02545 3/20 0.58
RAB9A P51151 2/20 0.58
RECQL P46063 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
CYP1A2 P05177 2/20 0.55
GAA P10253 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
CYP2D6 P10635 1/20 0.55
CACNA2D1 P54289 1/20 0.55
KDM4E B2RXH2 4/20 0.51
TSHR P16473 2/20 0.51

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
SCHEMBL6026954 0.89 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNARAB9ARECQL
SCHEMBL2351103 0.86 PDE4A (0.56) ALDH1A1SMN1; SMN2LMNARAB9ARECQL
SCHEMBL7257039 0.86 PDE4A (0.56) ALDH1A1SMN1; SMN2LMNARAB9ARECQL
SCHEMBL4620225 0.84 RAB9A (0.54) ALDH1A1SMN1; SMN2LMNARAB9ARECQL
SCHEMBL3821928 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7480981 0.82 TSHR (0.54) ALDH1A1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL14306124 0.82 RAB9A (0.54) ALDH1A1SMN1; SMN2LMNARAB9ARECQL
SCHEMBL13462507 0.81 PDE4A (0.56) ALDH1A1SMN1; SMN2LMNARAB9ARECQL
SCHEMBL4620915 0.79 RAB9A (0.48) ALDH1A1SMN1; SMN2LMNARAB9ARECQL
SCHEMBL22854493 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2LMNARAB9AMEN1

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 ALDH1A1 2744/4885SMN1; SMN2 3811/4885LMNA 1327/4885

“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.