SCHEMBL13974299

SCHEMBL13974299

O=C(Nc1ccc2c(cnn2-c2ccc(NCC3CC3)cc2)c1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK8 P45983 3/20 0.48
MAPK10 P53779 3/20 0.48
MAPK13 O15264 3/20 0.48
MAPK12 P53778 3/20 0.48
MAPK11 Q15759 3/20 0.48
MAPK14 Q16539 3/20 0.48
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KDM1A O60341 3/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.45

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
SCHEMBL1664913 0.90 MAPT (0.59) MAPTKDM4EHPGDSMN1; SMN2MAPK8
SCHEMBL8769687 0.88 MAPT (0.54) MAPTKDM4EHPGDSMN1; SMN2MAPK8
SCHEMBL1665410 0.88 MAPT (0.52) MAPTKDM4EHPGDSMN1; SMN2MAPK8
SCHEMBL1664427 0.86 ALDH1A1 (0.52) MAPTKDM4EHPGDSMN1; SMN2MAPK8
SCHEMBL1665534 0.85 ALDH1A1 (0.53) MAPTKDM4EHPGDSMN1; SMN2MAPK8
SCHEMBL1665101 0.85 ALDH1A1 (0.53) MAPTKDM4EHPGDSMN1; SMN2MAPK8
SCHEMBL1664065 0.85 MAPT (0.54) MAPTKDM4EHPGDSMN1; SMN2MAPK8
SCHEMBL8771404 0.85 MAPT (0.67) MAPTKDM4EHPGDSMN1; SMN2MAPK8
SCHEMBL1663957 0.84 MAPT (0.55) MAPTKDM4EHPGDSMN1; SMN2MAPK8
SCHEMBL1663940 0.84 MAPK10 (0.63) MAPTKDM4EHPGDSMN1; SMN2MAPK8

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 5 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

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 MAPT 4622/4885KDM4E 3484/4885HPGD 737/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885KDM4E 1944/4885HPGD 1328/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF MAPT 4411/4885KDM4E 1944/4885HPGD 1328/4885

“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.