SCHEMBL6325838

SCHEMBL6325838

CCN(CC)Cc1ccc(NNC=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.50
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ACHE P22303 3/20 0.40
BCHE P06276 2/20 0.40
RORC P51449 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6317620 0.82 HRH3 (0.47) HRH3HDAC6ACHEBCHE
SCHEMBL8401345 0.82 HRH3 (0.53) HRH3HDAC8HDAC6ACHEBCHE
SCHEMBL8761098 0.80 GAA (0.44) HDAC8HDAC6MAPK1
SCHEMBL8762630 0.75 ALDH1A1 (0.55) HDAC8HDAC6MAPK1
SCHEMBL7768079 0.74 HRH3 (0.84) HRH3HDAC8HDAC6
SCHEMBL4471773 0.74 HRH3 (0.61) HRH3HDAC8HDAC6ACHEBCHE
SCHEMBL2043393 0.74 HRH3 (0.61) HRH3HDAC8HDAC6ACHE
SCHEMBL8761084 0.74 EPHX1 (0.31)
SCHEMBL8401340 0.71 HRH3 (0.53) HRH3HDAC8HDAC6ACHEBCHE
SCHEMBL8762647 0.71 THRA (0.54) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6855710-B2 Substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-15 US disclosed
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-03-25 US disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 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-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 HRH3 1204/4885HDAC8 672/4885HDAC6 1527/4885

“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.