SCHEMBL3597437

SCHEMBL3597437

CCOC(=O)c1c(C(=O)OC(C)(C)C)[nH]c2c1CCCC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
IGF1R P08069 1/20 0.46
MAPT P10636 7/20 0.46
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 2/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 7/20 0.41
POLB P06746 2/20 0.40
THRB P10828 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 3/20 0.38
GAA P10253 3/20 0.38
RECQL P46063 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL3592938 0.90 BRD4 (0.60) BRD4MAPTKDM4ESMN1; SMN2L3MBTL1
SCHEMBL4440096 0.85 BRD4 (0.36) BRD4IGF1RMAPTKDM4ESMN1; SMN2
SCHEMBL688491 0.80 BRD4 (0.58) BRD4MAPTKDM4ESMN1; SMN2L3MBTL1
SCHEMBL3595047 0.72 ALDH1A1 (0.42) BRD4MAPTKDM4ESMN1; SMN2L3MBTL1
SCHEMBL5252828 0.72 MAPT (0.50) BRD4MAPTKDM4ESMN1; SMN2L3MBTL1
SCHEMBL1627629 0.69 HPGD (0.76) IGF1RMAPTKDM4ESMN1; SMN2L3MBTL1
SCHEMBL23496567 0.67 BRD4 (1.00) BRD4MAPTKDM4ESMN1; SMN2KMT2A
SCHEMBL7122759 0.67 IGF1R (0.76) IGF1RMAPTKDM4ESMN1; SMN2L3MBTL1
SCHEMBL13574871 0.66 IGF1R (0.62) IGF1RMAPTKDM4ESMN1; SMN2L3MBTL1
SCHEMBL12466658 0.66 KDM4E (0.51) BRD4MAPTKDM4ESMN1; SMN2L3MBTL1

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
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
EP-2118102-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES Nerviano Medical Sciences S.r.l. (IT) 2009-11-18 EP disclosed
WO-2008065054-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-06-05 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-20100075998-A1 TRICYCLIC INDOLES AND (4,5-DIHYDRO) INDOLES CDC7, CDK7, CDK17 BRD4 735/4885IGF1R 718/4885MAPT 2291/4885

“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.