SCHEMBL8768779

SCHEMBL8768779

O=C(Nc1ccc(C(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)cc1)c1ccc2c(c1)OCO2

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.82
NPC1 O15118 11/20 0.82
SMN1; SMN2 Q16637 5/20 0.82
MAPT P10636 4/20 0.82
PKM P14618 3/20 0.82
ALDH1A1 P00352 3/20 0.82
NFKB1 P19838 2/20 0.82
NFKB2 Q00653 2/20 0.82
RELA Q04206 2/20 0.82
CASP3 P42574 7/20 0.78
SENP7 Q9BQF6 7/20 0.78
KMT2A Q03164 7/20 0.78
MEN1 O00255 5/20 0.78
SENP8 Q96LD8 3/20 0.78
SENP6 Q9GZR1 3/20 0.78
TP53 P04637 1/20 0.78
NPSR1 Q6W5P4 1/20 0.78
RXFP1 Q9HBX9 1/20 0.71
LMNA P02545 1/20 0.70
MAOB P27338 1/20 0.70

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
SCHEMBL108116 0.90 NPC1 (1.00) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL4727186 0.89 RAB9A (0.81) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL6848423 0.88 RAB9A (0.84) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL2971586 0.88 RAB9A (0.78) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL11238457 0.88 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL12111900 0.87 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL28925954 0.85 RAB9A (0.85) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL27179668 0.85 RAB9A (0.90) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL5843884 0.85 RAB9A (0.74) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL178984 0.84 CASP3 (0.85) RAB9ANPC1SMN1; SMN2MAPTPKM

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 RAB9A 4230/4885NPC1 4635/4885SMN1; SMN2 3850/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RAB9A 3140/4885NPC1 4555/4885SMN1; SMN2 941/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RAB9A 3140/4885NPC1 4555/4885SMN1; 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.