SCHEMBL3380280

SCHEMBL3380280

O=C(O)[C@H](Cc1c[nH]c2ccccc12)N(Cl)Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 3/20 0.63
MAPT P10636 3/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
POLB P06746 2/20 0.63
APAF1 O14727 1/20 0.63
RECQL P46063 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
LMNA P02545 1/20 0.63
MPO P05164 1/20 0.63
TSHR P16473 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
HIF1A Q16665 1/20 0.63
DNMT1 P26358 3/20 0.55
CYP2C19 P33261 1/20 0.54
DNMT3B Q9UBC3 1/20 0.54
PKM P14618 1/20 0.54
ALOX15 P16050 1/20 0.53

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
SCHEMBL3380277 1.00 SMN1; SMN2 (0.65) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL3382468 0.89 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL3382466 0.89 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL29233344 0.88 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL828692 0.87 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL828693 0.87 SMN1; SMN2 (0.67) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL29773596 0.87 KDM4E (0.61) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL29773608 0.87 KDM4E (0.61) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL22383972 0.86 KDM4E (0.68) SMN1; SMN2KDM4EMAPTKMT2AMEN1
SCHEMBL3855611 0.86 KDM4E (0.68) SMN1; SMN2KDM4EMAPTKMT2AMEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP claimed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US claimed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO claimed
US-20220403428-A1 YEAST CELLS AND METHODS FOR PRODUCTION OF TRYPTOPHAN DERIVATIVES DANMARKS TEKNISKE UNIVERSITET (DK) 2022-12-22 US disclosed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP disclosed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO disclosed
US-4015008-A N,N-dichloro substituted aminocarboxylic acids as microbiocides NATIONAL PATENT DEVELOPMENT CORPORATION (US) 1977-03-29 US disclosed
US-3950536-A N,N-Dichloro substituted aminocarboxylic acids as bactericides and fungicides BARER SOL JOSEPH 1976-04-13 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-20080287866-A1 Methods and compositions for the treatment of pain ACHE, S100P, P2RX3 SMN1; SMN2 887/4885KDM4E 3401/4885MAPT 1551/4885

“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.