SCHEMBL3606888

SCHEMBL3606888

CCOC(=O)c1c2c(n(C)c1C(=O)OCC)C(=O)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 4/20 0.47
BRD4 O60885 1/20 0.46
MEN1 O00255 3/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
UBE2N P61088 1/20 0.42
MAPT P10636 6/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
RECQL P46063 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 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
SCHEMBL3595047 0.90 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2LMNAKMT2ABRD4
SCHEMBL12466459 0.87 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAKMT2ABRD4
SCHEMBL23496483 0.76 BRD4 (0.53) ALDH1A1SMN1; SMN2LMNAKMT2ABRD4
SCHEMBL12466826 0.75 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAKMT2ABRD4
SCHEMBL23496457 0.74 BRD4 (0.51) ALDH1A1SMN1; SMN2LMNAKMT2ABRD4
SCHEMBL12466364 0.72 BAZ2B (0.48) ALDH1A1SMN1; SMN2LMNAKMT2ABRD4
SCHEMBL23496517 0.72 BRD4 (0.46) ALDH1A1SMN1; SMN2LMNAKMT2ABRD4
SCHEMBL3502504 0.72 CCNA2 (0.46) ALDH1A1SMN1; SMN2LMNAKMT2ABRD4
SCHEMBL5059677 0.70 MAP2K1 (0.70)
SCHEMBL12499362 0.69 BRD4 (0.43) ALDH1A1SMN1; SMN2LMNAKMT2ABRD4

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
EP-2118102-B1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
US-8207180-B2 Tricyclic indoles and (4,5-dihydro) indoles NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-26 US disclosed
US-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-03-25 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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 ALDH1A1 2469/4885SMN1; SMN2 4121/4885LMNA 3538/4885

“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.