SCHEMBL1663642

SCHEMBL1663642

O=C(Nc1ccc(Nc2ccc(NC(=O)c3cccnc3)cc2)cc1)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.72
MAPT P10636 10/20 0.72
NPC1 O15118 5/20 0.72
RAB9A P51151 5/20 0.72
GAA P10253 2/20 0.72
ALDH1A1 P00352 4/20 0.68
TP53 P04637 3/20 0.68
GFER P55789 1/20 0.68
HTT P42858 3/20 0.60
POLB P06746 1/20 0.60
MAPK1 P28482 1/20 0.59
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
NAMPT P43490 1/20 0.51
PKM P14618 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50

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
SCHEMBL1663640 0.98 SMN1; SMN2 (0.76) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1663679 0.88 RAB9A (0.55) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL8769706 0.87 RAB9A (0.58) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL8775385 0.83 NPC1 (0.64) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL18745976 0.82 KMT2A (0.55) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL21254928 0.82 RAB9A (0.55) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL1664311 0.82 KMT2A (0.55) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL1664752 0.81 MAPT (0.47) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1663536 0.81 RAB9A (0.55) SMN1; SMN2MAPTNPC1RAB9AGAA
SCHEMBL1665918 0.81 MAPT (0.65) SMN1; SMN2MAPTNPC1RAB9AGAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488486-B1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARM INC (US) 2019-08-14 EP 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-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 SMN1; SMN2 3850/4885MAPT 4622/4885NPC1 4635/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF SMN1; SMN2 941/4885MAPT 4411/4885NPC1 4555/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF SMN1; SMN2 941/4885MAPT 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.