SCHEMBL1662979

SCHEMBL1662979

O=C(O)Nc1ccc(C(=O)N2CCC(NC(=O)c3ccc(N4CCOCC4)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 1/20 0.56
RAB9A P51151 1/20 0.56
HPGDS O60760 3/20 0.55
EPHX2 P34913 1/20 0.55
USP30 Q70CQ3 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 4/20 0.53
ATM Q13315 1/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 2/20 0.51
HSD11B1 P28845 1/20 0.51
PIK3R1 P27986 1/20 0.51
PIK3CA P42336 1/20 0.51
MTOR P42345 1/20 0.51

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
SCHEMBL8769824 0.85 NAMPT (0.56) NPC1TP53PKMMAPK1RAB9A
SCHEMBL3956569 0.82 EPHX2 (0.67) NPC1MAPK1EPHX2GAAMAPT
SCHEMBL3961426 0.81 EPHX2 (0.69) EPHX2GAA
SCHEMBL28284715 0.79 EPHX2 (0.69) NPC1TP53EPHX2MAPTKMT2A
SCHEMBL1853814 0.78 MAPT (0.67) NPC1TP53PKMMAPK1RAB9A
SCHEMBL15866466 0.77 NPC1 (0.68) NPC1TP53MAPK1RAB9AUSP30
SCHEMBL18739943 0.75 KMT2A (0.62) NPC1RAB9AEPHX2HDAC8HDAC6
SCHEMBL4111205 0.74 EPHX2 (0.77) NPC1RAB9AEPHX2GAAMAPT
SCHEMBL1663916 0.73 KMT2A (0.56) NPC1TP53GAAMAPTKMT2A
SCHEMBL4414247 0.72 HDAC8 (0.77) NPC1TP53PKMMAPK1RAB9A

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 9 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
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP 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 NPC1 4635/4885TP53 828/4885PKM 2701/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885TP53 309/4885PKM 2995/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885TP53 309/4885PKM 2995/4885

“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.