SCHEMBL8770201

SCHEMBL8770201

O=C(Nc1ccc(C(=O)c2ccc(NC(=O)c3ccc(N4CCCC4)cc3)cc2)cc1)c1ccc(N2CCCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.78
MAPT P10636 12/20 0.78
NPC1 O15118 12/20 0.78
SMN1; SMN2 Q16637 8/20 0.78
KMT2A Q03164 8/20 0.78
USP2 O75604 4/20 0.78
MEN1 O00255 4/20 0.78
KDM4E B2RXH2 4/20 0.78
MCL1 Q07820 3/20 0.78
LMNA P02545 3/20 0.78
L3MBTL1 Q9Y468 2/20 0.78
TP53 P04637 5/20 0.76
ALOX15 P16050 4/20 0.76
MAPK1 P28482 2/20 0.76
HTT P42858 1/20 0.76
PKM P14618 1/20 0.75
NFKB1 P19838 1/20 0.75
NFKB2 Q00653 1/20 0.75
RELA Q04206 1/20 0.75
ALDH1A1 P00352 7/20 0.72

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
SCHEMBL8769429 0.98 RAB9A (0.78) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL8769840 0.90 RAB9A (0.78) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL30828596 0.89 RAB9A (0.78) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL1663783 0.88 HDAC8 (0.81) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL4251987 0.87 RAB9A (0.85) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL1663965 0.86 NPC1 (0.82) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL18470910 0.86 RAB9A (1.00) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL1663115 0.86 ALDH1A1 (0.66) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL3142490 0.86 RAB9A (1.00) RAB9AMAPTNPC1SMN1; SMN2KMT2A
SCHEMBL2354022 0.86 RAB9A (1.00) RAB9AMAPTNPC1SMN1; SMN2KMT2A

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 12 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-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-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-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-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
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 RAB9A 4230/4885MAPT 4622/4885NPC1 4635/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RAB9A 3140/4885MAPT 4411/4885NPC1 4555/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RAB9A 3140/4885MAPT 4411/4885NPC1 4555/4885

“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.