SCHEMBL1664720

SCHEMBL1664720

O=C(Nc1ccc2c(ccn2-c2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2)c1)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.52
RAB9A P51151 5/20 0.52
LMNA P02545 4/20 0.52
TP53 P04637 3/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
HIF1A Q16665 6/20 0.52
EPAS1 Q99814 6/20 0.52
MAPK1 P28482 2/20 0.52
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ESR1 P03372 1/20 0.48

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
SCHEMBL1664517 0.88 ESR1 (0.46) NPC1RAB9ALMNAKMT2AALDH1A1
SCHEMBL1666390 0.81 ESR1 (0.52) NPC1RAB9AKMT2APOLBSMN1; SMN2
SCHEMBL1665099 0.75 LMNA (0.47) NPC1RAB9ALMNATP53ALDH1A1
SCHEMBL1665231 0.73 MAPT (0.58) NPC1RAB9ALMNATP53KMT2A
SCHEMBL1664937 0.72 LMNA (0.44) NPC1RAB9ALMNAKMT2AALDH1A1
SCHEMBL8769811 0.71 RAB9A (0.83) NPC1RAB9ALMNATP53KMT2A
SCHEMBL2345296 0.70 MAPK14 (0.55) NPC1RAB9ALMNATP53KMT2A
SCHEMBL6128611 0.70 TNIK (0.42) NPC1RAB9ATP53MAPK1SMN1; SMN2
SCHEMBL2344276 0.70 MAPK14 (0.63) NPC1RAB9ALMNATP53MAPK1
SCHEMBL21024443 0.70 RAB9A (1.00) NPC1RAB9ALMNATP53KMT2A

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 17 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
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
CN-103282034-A Use of hematopoietic growth factor mimetics LIGAND PHARM INC 2013-09-04 CN 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
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-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
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 4635/4885RAB9A 4230/4885LMNA 4611/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885RAB9A 3140/4885LMNA 3995/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF NPC1 4555/4885RAB9A 3140/4885LMNA 3995/4885

“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.