SCHEMBL3603849

SCHEMBL3603849

CCOC(=O)c1c2c(n(C)c1Br)-c1cc[n+](Cc3ccccc3)cc1CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
PLCG1 P19174 1/20 0.39
PAX8 Q06710 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
APAF1 O14727 1/20 0.37
SMAD3 P84022 1/20 0.37
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35

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 0.88 MAPT (0.38) MAPTSMN1; SMN2TDP2NSD2PLCG1
SCHEMBL3588774 0.80 KDM4E (0.33) KDM4EALDH1A1L3MBTL1NPSR1ACHE
SCHEMBL3597814 0.78 NPSR1 (0.38) SMN1; SMN2KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL3609436 0.77 ALOX5 (0.44) MAPTSMN1; SMN2TDP2NSD2PLCG1
SCHEMBL3590440 0.75 APAF1 (0.39) MAPTKDM4EALDH1A1HPGDNPSR1
SCHEMBL3597842 0.66 CDK4 (0.39) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL17381182 0.65 CYP19A1 (0.40) MAPTSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL10314667 0.65 TSHR (0.47) MAPTSMN1; SMN2ALDH1A1L3MBTL1NPSR1
Bromide SCHEMBL7962605 0.65 SMN1; SMN2 (0.56) MAPTSMN1; SMN2KDM4EALDH1A1TDP1
SCHEMBL11066786 0.64 ALDH1A1 (0.45) MAPTSMN1; SMN2TDP2NSD2PLCG1

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 MAPT 2291/4885SMN1; SMN2 4121/4885TDP2 1120/4885

“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.