SCHEMBL3623725

SCHEMBL3623725

COc1ccc(C)cc1S(=O)(=O)N1CCc2c(Br)cccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
GAA P10253 2/20 0.55
USP2 O75604 2/20 0.55
TSHR P16473 5/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
MCOLN3 Q8TDD5 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL3625987 0.85 KMT2A (0.52) KMT2AGAAUSP2TSHRMEN1
SCHEMBL3614153 0.84 KMT2A (0.51) KMT2AGAAUSP2TSHRMEN1
SCHEMBL3623663 0.84 TSHR (0.51) KMT2AGAAUSP2TSHRMEN1
SCHEMBL3626204 0.83 KMT2A (0.49) KMT2AGAAUSP2TSHRMEN1
SCHEMBL3626085 0.82 ALDH1A1 (0.52) KMT2AGAAUSP2TSHRMEN1
SCHEMBL3620704 0.78 ALDH1A1 (0.43) KMT2AGAAUSP2TSHRMEN1
Trifluoroacetic Acid SCHEMBL3622909 0.77 ALDH1A1 (0.46) KMT2AGAAUSP2TSHRMEN1
Trifluoroacetic Acid SCHEMBL3617279 0.76 ALDH1A1 (0.47) KMT2AGAAUSP2TSHRALDH1A1
Trifluoroacetic Acid SCHEMBL3626187 0.76 CPT1A (0.44) KMT2AGAAUSP2TSHRMEN1
SCHEMBL5960057 0.74 PDE4A (0.52) KMT2AGAAMEN1ALDH1A1MAPT

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 KMT2A 3558/4885GAA 2948/4885USP2 4564/4885

“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.