SCHEMBL10066944

SCHEMBL10066944

CCc1ccc(-n2nnnc2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
NOTUM Q6P988 1/20 0.45
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MAPT P10636 4/20 0.41
HSP90AA1 P07900 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
NLRP1 Q9C000 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41

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
SCHEMBL24240345 0.86 LMNA (0.62) LMNANOTUMALDH1A1L3MBTL1NPSR1
SCHEMBL10053479 0.80 ALDH1A1 (0.59) LMNANOTUMALDH1A1L3MBTL1NPSR1
SCHEMBL11958558 0.78 LMNA (1.00) LMNANOTUMALDH1A1MEN1KMT2A
SCHEMBL4210492 0.77 MAPT (0.57) LMNANOTUMALDH1A1NPSR1KMT2A
SCHEMBL18994950 0.77 LMNA (0.44) LMNANOTUMCA12CA9
Hydrochloric Acid SCHEMBL5473511 0.77 LMNA (0.63) LMNAALDH1A1L3MBTL1NPSR1MEN1
SCHEMBL5544322 0.77 LMNA (0.54) LMNANOTUMALDH1A1L3MBTL1NPSR1
SCHEMBL1186097 0.77 LMNA (0.58) LMNANOTUMALDH1A1L3MBTL1NPSR1
SCHEMBL1186487 0.77 LMNA (0.54) LMNANOTUMALDH1A1L3MBTL1NPSR1
SCHEMBL15790775 0.77 LMNA (0.54) LMNANOTUMALDH1A1L3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA LMNA 1484/4885NOTUM 3757/4885ALDH1A1 2643/4885

“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.