SCHEMBL6320055

SCHEMBL6320055

CCOC(=O)CNC(=O)c1cccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GLA P06280 2/20 0.39
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PPID Q08752 1/20 0.39

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
SCHEMBL6320064 1.00 IDO1 (0.47) IDO1TDO2ALDH1A1KDM4EGAA
SCHEMBL6318562 0.91 MEN1 (0.50) IDO1TDO2ALDH1A1KDM4EGAA
SCHEMBL6318557 0.91 MEN1 (0.50) IDO1TDO2ALDH1A1KDM4EGAA
SCHEMBL6401184 0.87 PTPRC (0.46) IDO1TDO2ALDH1A1KDM4ELMNA
SCHEMBL6401179 0.87 PTPRC (0.46) IDO1TDO2ALDH1A1KDM4ELMNA
SCHEMBL6321076 0.86 IDO1 (0.53) IDO1TDO2ALDH1A1KMT2AMEN1
SCHEMBL6320518 0.86 IDO1 (0.53) IDO1TDO2ALDH1A1KMT2AMEN1
SCHEMBL6318745 0.85 IDO1 (0.49) IDO1TDO2ALDH1A1KMT2AMEN1
SCHEMBL6318612 0.85 IDO1 (0.49) IDO1TDO2ALDH1A1KMT2AMEN1
SCHEMBL6322482 0.84 IDO1 (0.46) IDO1TDO2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927225-B2 Fungicidal 2-pyridyl alkyl amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2005-08-09 US disclosed
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-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
US-20030022902-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation RICKS MICHAEL J (US) 2003-01-30 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 (2 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-20030022902-A1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation NAT1, CYP1A1, CYP4X1 IDO1 179/4885TDO2 1171/4885ALDH1A1 163/4885
US-20040058978-A1 Novel substituted indolines with an inhibitory effect on various kinases and complexes of CDKs CDK1, CDK2, CDK3 IDO1 232/4885TDO2 762/4885ALDH1A1 1810/4885

“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.