SCHEMBL9918368

SCHEMBL9918368

C=C(CCOc1ccc(C(C)C)cc1)N(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
ACACB O00763 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL9920173 0.81 RAB9A (0.50) KMT2AMEN1RAB9ANPC1ACACB
SCHEMBL10824702 0.76 KMT2A (0.59) KMT2AMEN1RAB9ANPC1RXRA
SCHEMBL23074666 0.75 MEN1 (0.47) KMT2AMEN1RAB9ANPC1RXRA
SCHEMBL14579974 0.74 MEN1 (0.62) KMT2AMEN1RAB9ANPC1RXRA
SCHEMBL10593412 0.74 MEN1 (0.62) KMT2AMEN1RAB9ANPC1RXRA
SCHEMBL22831355 0.74 KCNH2 (0.53) KMT2AMEN1SMN1; SMN2LMNAHTT
SCHEMBL84461 0.74 HRH3 (0.59) KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL12227194 0.73 RXRA (0.49) KMT2AMEN1RAB9ARXRARXRB
SCHEMBL13531974 0.73 GAA (0.51) KMT2AMEN1RAB9ANPC1RXRA
SCHEMBL20004355 0.73 MEN1 (0.53) KMT2AMEN1RAB9ARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 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 (2 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-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KMT2A 533/4885MEN1 436/4885RAB9A 1684/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KMT2A 628/4885MEN1 440/4885RAB9A 1741/4885

“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.