SCHEMBL17797709

SCHEMBL17797709

O=C(O)Nc1ccc2c(c1)CCCN(C1CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
NPC1 O15118 8/20 0.45
RAB9A P51151 8/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
KDM2B Q8NHM5 2/20 0.43

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
SCHEMBL17813396 0.81 PSEN1 (0.49) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL5459684 0.81 HRH3 (0.53) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL17797702 0.78 RAB9A (0.51) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL17797537 0.77 TMEM97 (0.52) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL11896022 0.76 NPC1 (0.70) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL30494024 0.76 NPC1 (0.65) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL3652815 0.76 NPC1 (0.49) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL25833033 0.73 NPY5R (0.40) KMT2ANPC1RAB9AMEN1L3MBTL3
SCHEMBL17797647 0.73 BRD4 (0.47) KDM2B
SCHEMBL3885843 0.72 AXL (0.48) KMT2ANPC1RAB9AMEN1L3MBTL3

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-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE CAR LLC (BM) 2016-06-09 US disclosed
WO-2016090079-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-06-09 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-20160159774-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KMT2A 3318/4885NPC1 48/4885RAB9A 580/4885

“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.