SCHEMBL8772494

SCHEMBL8772494

O=C(Nc1ccc(C(=O)c2ccc(NC(=O)C3CC3)cc2)cc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
HDAC8 Q9BY41 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
MAPT P10636 9/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
MAPK1 P28482 2/20 0.65
PKM P14618 2/20 0.65
TP53 P04637 2/20 0.65
ATM Q13315 1/20 0.65
LMNA P02545 2/20 0.62
KDM1A O60341 2/20 0.61
MAOA P21397 2/20 0.61
MAOB P27338 2/20 0.61
KDM1B Q8NB78 2/20 0.61
RCOR1 Q9UKL0 2/20 0.61
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
KDM4E B2RXH2 2/20 0.55

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
SCHEMBL1663783 0.90 HDAC8 (0.81) ALDH1A1HDAC8HDAC6MAPTNPC1
SCHEMBL1663968 0.88 KMT2A (0.52) ALDH1A1HDAC8HDAC6MAPTNPC1
SCHEMBL27918270 0.86 HDAC8 (0.68) ALDH1A1HDAC8HDAC6MAPTNPC1
SCHEMBL8770393 0.86 MAPT (0.59) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL18745963 0.84 HDAC8 (0.71) ALDH1A1HDAC8HDAC6MAPTNPC1
SCHEMBL1663341 0.84 HDAC8 (0.71) ALDH1A1HDAC8HDAC6MAPTNPC1
SCHEMBL18745975 0.83 HDAC8 (0.64) ALDH1A1HDAC8HDAC6MAPTNPC1
SCHEMBL13973218 0.82 ALDH1A1 (0.72) ALDH1A1MAPTATMLMNASMN1; SMN2
SCHEMBL1663954 0.82 MAPT (0.90) ALDH1A1HDAC8HDAC6MAPTNPC1
SCHEMBL1666098 0.82 HDAC8 (0.62) ALDH1A1HDAC8HDAC6MAPTNPC1

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 6 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

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 ALDH1A1 3228/4885HDAC8 3359/4885HDAC6 3930/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885HDAC8 1812/4885HDAC6 3025/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF ALDH1A1 2736/4885HDAC8 1812/4885HDAC6 3025/4885

“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.