SCHEMBL3620704

SCHEMBL3620704

COc1ccc(C)cc1S(=O)(=O)N1CCc2c(CN3CCNC(C)C3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 5/20 0.42
MAPK1 P28482 1/20 0.42
USP2 O75604 2/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.39
CPT1A P50416 1/20 0.39
CPT1B Q92523 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
XIAP P98170 1/20 0.38
BIRC2 Q13490 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
SCHEMBL3623663 0.85 TSHR (0.51) ALDH1A1LMNAPKMTSHRMAPK1
SCHEMBL3626085 0.84 ALDH1A1 (0.52) ALDH1A1LMNAPKMTSHRMAPK1
SCHEMBL3619876 0.79 HTR6 (0.53) ALDH1A1PKMTSHRMAPK1USP2
SCHEMBL3626204 0.79 KMT2A (0.49) ALDH1A1LMNAPKMTSHRMAPK1
Trifluoroacetic Acid SCHEMBL3622909 0.79 ALDH1A1 (0.46) ALDH1A1PKMTSHRUSP2KMT2A
SCHEMBL3623725 0.78 KMT2A (0.55) ALDH1A1LMNAPKMTSHRMAPK1
Trifluoroacetic Acid SCHEMBL3617279 0.77 ALDH1A1 (0.47) ALDH1A1LMNAPKMTSHRUSP2
SCHEMBL3625987 0.74 KMT2A (0.52) ALDH1A1LMNAPKMTSHRMAPK1
SCHEMBL3614153 0.73 KMT2A (0.51) ALDH1A1LMNAPKMTSHRMAPK1
Trifluoroacetic Acid SCHEMBL3626187 0.72 CPT1A (0.44) ALDH1A1PKMTSHRUSP2KMT2A

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 15 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 claimed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US claimed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP claimed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US claimed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO claimed
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
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US 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
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US 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
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 917/4885LMNA 2315/4885PKM 1474/4885

“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.