SCHEMBL426144

SCHEMBL426144

CN(C(=O)n1nc(-c2ccccc2)oc1=O)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TRPV1 Q8NER1 2/20 0.52
TRPA1 O75762 1/20 0.49
MGLL Q99685 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.43
FAAH O00519 1/20 0.43
CES2 O00748 1/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
ABCC1 P33527 2/20 0.42
CNR1 P21554 3/20 0.41
GPR55 Q9Y2T6 3/20 0.41
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL424645 0.75 TRPV1 (0.53) HPGDKMT2ATRPV1TRPA1MGLL
SCHEMBL10706130 0.73 SMN1; SMN2 (0.70) KDM4EHPGDKMT2ASMN1; SMN2NPC1
SCHEMBL7700706 0.72 KDM4E (0.65) KDM4EHPGDKMT2ASMN1; SMN2NPC1
SCHEMBL424644 0.71 TRPV1 (0.51) HPGDKMT2ASMN1; SMN2TRPV1TRPA1
SCHEMBL8904890 0.71 ALDH1A1 (0.54) KDM4EHPGDKMT2ASMN1; SMN2TRPV1
SCHEMBL8905045 0.71 ALDH1A1 (0.54) KDM4EHPGDKMT2ASMN1; SMN2TRPV1
SCHEMBL10704159 0.69 KMT2A (0.60) KDM4EHPGDKMT2ASMN1; SMN2FAAH
SCHEMBL7704960 0.69 KMT2A (0.64) KDM4EHPGDKMT2ASMN1; SMN2NPC1
SCHEMBL424383 0.69 FAAH (0.74) HPGDKMT2ASMN1; SMN2TRPV1TRPA1
SCHEMBL10832519 0.69 KMT2A (0.59) KDM4EHPGDKMT2ASMN1; SMN2NPC1

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 4 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-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

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 KDM4E 1982/4885HPGD 247/4885KMT2A 2067/4885

“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.