SCHEMBL3615433

SCHEMBL3615433

CCOc1ccc2c(c1CN1CCNCC1)c(OC(=O)C(F)(F)F)c(C(=O)NCc1cccs1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
POLB P06746 4/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 7/20 0.34
ATM Q13315 1/20 0.34
F2 P00734 2/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
PTGDR Q13258 1/20 0.33
DDR1 Q08345 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL3619316 0.94 ALDH1A1 (0.39) KDM4EPOLBLMNAMAPK1ALDH1A1
SCHEMBL3614687 0.84 DDR1 (0.37) KDM4EPOLBALDH1A1DDR1CHRM3
Trifluoroacetic Acid SCHEMBL3615430 0.82 KDM4E (0.38) KDM4EPOLBLMNAMAPK1ALDH1A1
SCHEMBL3614586 0.81 DDR1 (0.36) KDM4EPOLBALDH1A1TP53DDR1
SCHEMBL3619350 0.80 ALDH1A1 (0.39) KDM4EPOLBLMNAMAPK1ALDH1A1
Trifluoroacetic Acid SCHEMBL3619313 0.76 ALDH1A1 (0.42) KDM4EPOLBLMNAMAPK1ALDH1A1
SCHEMBL3622100 0.75 HTR6 (0.44) KDM4ETP53
SCHEMBL13120048 0.73 ALDH1A1 (0.45) KDM4EPOLBLMNAMAPK1ALDH1A1
Trifluoroacetic Acid SCHEMBL3622099 0.70 HTR6 (0.54) TP53
SCHEMBL3619784 0.67 HTR6 (0.56)

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-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-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A KDM4E 3665/4885POLB 3884/4885LMNA 2315/4885

“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.