SCHEMBL8769676

SCHEMBL8769676

CN(C)c1cccc(C(=O)N/N=C/c2cccc(/C=N/NC(=O)c3cccc(N(C)C)c3)c2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.73
RAB9A P51151 7/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
NPC1 O15118 5/20 0.73
HDAC8 Q9BY41 3/20 0.71
HDAC6 Q9UBN7 2/20 0.71
KMT2A Q03164 4/20 0.63
ALDH1A1 P00352 3/20 0.63
PKM P14618 1/20 0.63
HDAC3 O15379 1/20 0.57
HDAC2 Q92769 1/20 0.57
NCOR2 Q9Y618 1/20 0.57
KDM4E B2RXH2 4/20 0.55
POLB P06746 2/20 0.55
CTDSP1 Q9GZU7 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
APEX1 P27695 1/20 0.55
APOBEC3A P31941 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
ESRRG P62508 1/20 0.54

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
SCHEMBL12937892 0.88 HDAC8 (0.77) MAPTRAB9ASMN1; SMN2NPC1HDAC8
SCHEMBL12791111 0.87 HDAC8 (0.81) MAPTRAB9ASMN1; SMN2NPC1HDAC8
SCHEMBL18127348 0.83 HDAC8 (1.00) MAPTRAB9ASMN1; SMN2NPC1HDAC8
SCHEMBL8771551 0.82 HDAC8 (0.72) MAPTRAB9ASMN1; SMN2NPC1HDAC8
SCHEMBL12937882 0.82 HDAC8 (0.80) MAPTRAB9ASMN1; SMN2NPC1HDAC8
SCHEMBL12746364 0.82 NPC1 (0.76) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL12937884 0.82 HDAC8 (0.72) MAPTRAB9ASMN1; SMN2NPC1HDAC8
SCHEMBL12937886 0.81 HDAC8 (0.74) MAPTRAB9ASMN1; SMN2NPC1HDAC8
SCHEMBL8767795 0.81 HDAC3 (0.72) MAPTRAB9ASMN1; SMN2NPC1HDAC8
SCHEMBL20175460 0.80 MAPT (0.74) MAPTRAB9ASMN1; SMN2NPC1HDAC8

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-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL MAPT 4622/4885RAB9A 4230/4885SMN1; SMN2 3850/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885RAB9A 3140/4885SMN1; SMN2 941/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885RAB9A 3140/4885SMN1; SMN2 941/4885

“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.