SCHEMBL3609436

SCHEMBL3609436

CCOC(=O)c1c(-c2ccccc2C)[nH]c2c1CCc1c[n+](Cc3ccccc3)ccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.44
PTGES O14684 3/20 0.44
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
TDP2 O95551 2/20 0.39
NSD2 O96028 2/20 0.39
PAX8 Q06710 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
GALK1 P51570 1/20 0.39
BLM P54132 1/20 0.39
ATM Q13315 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
SCHEMBL3590205 0.82 MAPT (0.38) ALOX5PTGESMAPTSMN1; SMN2ALDH1A1
SCHEMBL3602746 0.79 ALOX5 (0.47) ALOX5PTGESMAPTSMN1; SMN2ALDH1A1
SCHEMBL3603849 0.77 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL3588774 0.74 KDM4E (0.33) ALDH1A1KDM4EL3MBTL1CCNT1CCNT2
SCHEMBL3597814 0.72 NPSR1 (0.38) SMN1; SMN2ALDH1A1KDM4EL3MBTL1HPGD
SCHEMBL3599326 0.70 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL4441274 0.70 ALOX5 (0.46) ALOX5PTGESMAPTSMN1; SMN2ALDH1A1
SCHEMBL23649473 0.66 HPGD (0.49) MAPTSMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL17381182 0.65 CYP19A1 (0.40) MAPTSMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL10314667 0.65 TSHR (0.47) MAPTSMN1; SMN2ALDH1A1L3MBTL1NPC1

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 ALOX5 4088/4885PTGES 4613/4885MAPT 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.