SCHEMBL10022345

SCHEMBL10022345

Cc1nnnn1-c1cccc(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NOTUM Q6P988 2/20 0.44
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
RXRA P19793 6/20 0.42
GRIN1 Q05586 6/20 0.42
GRIN2B Q13224 6/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PLK1 P53350 1/20 0.40
NPSR1 Q6W5P4 3/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ESRRA P11474 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
S1PR4 O95977 1/20 0.38

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
SCHEMBL28456093 0.83 ESRRA (0.43) ALDH1A1L3MBTL1NOTUMLMNAMAPT
SCHEMBL10053486 0.80 ALDH1A1 (0.70) ALDH1A1L3MBTL1NOTUMLMNAMAPT
SCHEMBL10022371 0.80 LMNA (0.51) ALDH1A1L3MBTL1NOTUMLMNAMAPT
SCHEMBL4208305 0.78 NPSR1 (0.51) ALDH1A1L3MBTL1NOTUMLMNAMAPT
SCHEMBL28452133 0.78 SMN1; SMN2 (0.39) ALDH1A1L3MBTL1NOTUMLMNAMAPT
SCHEMBL19836399 0.77 RAB9A (0.41) ALDH1A1NOTUMLMNAMAPTRXRA
SCHEMBL18496495 0.77 SMN1; SMN2 (0.65) ALDH1A1L3MBTL1NOTUMLMNAMAPT
SCHEMBL5540345 0.77 LMNA (0.50) ALDH1A1L3MBTL1NOTUMLMNAMAPT
SCHEMBL3056133 0.77 ALDH1A1 (0.49) ALDH1A1L3MBTL1NOTUMLMNAMAPT
SCHEMBL5543153 0.77 NOTUM (0.54) ALDH1A1L3MBTL1NOTUMLMNAMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165322-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US 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-20120165322-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA ALDH1A1 2674/4885L3MBTL1 4323/4885NOTUM 3416/4885

“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.