SCHEMBL425530

SCHEMBL425530

CN(C(=O)n1cccn1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 1/20 0.46
PDE4B Q07343 2/20 0.42
GAA P10253 1/20 0.41
LIPE Q05469 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6629488 0.80 ALDH1A1 (0.53) ELANEKMT2AALDH1A1
SCHEMBL24937768 0.79 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EKMT2AGAALIPE
SCHEMBL24937734 0.77 KDM4E (0.50) SMN1; SMN2KDM4EKMT2AGAALIPE
SCHEMBL3150360 0.76 ELANE (0.44) ELANEKMT2A
SCHEMBL425384 0.75 LMNA (0.52) SMN1; SMN2KDM4EKMT2APDE4BGAA
SCHEMBL426663 0.73 SCN4A (0.48) SMN1; SMN2KDM4EKMT2AGAALIPE
SCHEMBL5652000 0.73 KMT2A (0.43) SMN1; SMN2KDM4EKMT2ALIPEALDH1A1
SCHEMBL427205 0.72 KDM4E (0.53) SMN1; SMN2KDM4EKMT2AGAALIPE
SCHEMBL427262 0.71 SCN4A (0.49) SMN1; SMN2KDM4EKMT2ALIPEALDH1A1
SCHEMBL426691 0.70 FYN (0.43) SMN1; SMN2KDM4EKMT2AALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 ELANE 296/4885SMN1; SMN2 2818/4885KDM4E 1982/4885

“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.