SCHEMBL3618337

SCHEMBL3618337

COc1ccc2c(cc(C(=O)NCc3cccs3)n2S(=O)(=O)c2ccccc2)c1CN1CCN(C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 1/20 0.41
MTNR1B P49286 1/20 0.40
F2 P00734 1/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
GAA P10253 3/20 0.39
USP2 O75604 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL13120048 0.91 ALDH1A1 (0.45) ALDH1A1TDP1MTNR1BF2MAPT
SCHEMBL3624788 0.88 ALDH1A1 (0.44) ALDH1A1MTNR1BMAPTPOLBSMN1; SMN2
Trifluoroacetic Acid SCHEMBL3619313 0.87 ALDH1A1 (0.42) ALDH1A1TDP1MTNR1BF2MAPT
SCHEMBL3614044 0.86 ALDH1A1 (0.45) ALDH1A1MTNR1BMAPTPOLBTP53
SCHEMBL3619350 0.84 ALDH1A1 (0.39) ALDH1A1MTNR1BF2MAPTPOLB
Trifluoroacetic Acid SCHEMBL3615430 0.80 KDM4E (0.38) ALDH1A1F2POLBSMN1; SMN2TP53
SCHEMBL3626113 0.78 MTNR1B (0.43) ALDH1A1MTNR1BMAPTPOLBTP53
SCHEMBL3616696 0.76 POLB (0.42) ALDH1A1MTNR1BMAPTPOLBTP53
SCHEMBL3622537 0.74 HTR6 (0.53) ALDH1A1MAPTPOLBTP53LMNA
Trifluoroacetic Acid SCHEMBL3614683 0.74 DDR1 (0.40) ALDH1A1MTNR1BMAPTPOLBTP53

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-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A ALDH1A1 917/4885TDP1 3330/4885MTNR1B 21/4885

“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.