SCHEMBL3431007

SCHEMBL3431007

CC(C)c1ccc2c3c([nH]c2c1)CCCC3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
KIF11 P52732 1/20 0.51
PARP1 P09874 3/20 0.44
F2 P00734 1/20 0.43
GFER P55789 1/20 0.43
EIF4A3 P38919 1/20 0.43
NQO1 P15559 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43

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
SCHEMBL7918067 0.87 KDM4E (0.62) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL12844741 0.84 MAPT (0.50) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20883912 0.80 NISCH (0.63) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20883910 0.80 TAAR1 (0.56) KDM4EKMT2AHSD17B10LMNAKIF11
SCHEMBL10099057 0.79 MAPT (0.57) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20780028 0.78 MAPT (0.56) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL20883952 0.77 KDM4E (0.62) KDM4EMEN1KMT2AHSD17B10KIF11
SCHEMBL167846 0.77 CHRNA7 (0.62) KDM4EALDH1A1HSD17B10KIF11USP2
SCHEMBL10289639 0.77 MAPT (0.55) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL1004931 0.76 MAPT (0.70) KDM4EMEN1KMT2AMAPTSMN1; SMN2

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 13 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-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
US-20120251493-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION SEIWERT SCOTT D (US) 2012-10-04 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20110129444-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC (US) 2011-06-02 US disclosed
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 US disclosed
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-10 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 (9 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP KDM4E 695/4885MEN1 4795/4885KMT2A 1733/4885
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL KDM4E 3484/4885MEN1 1370/4885KMT2A 2225/4885
US-20120094897-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HDGF KDM4E 683/4885MEN1 4762/4885KMT2A 2360/4885
US-20120251493-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS KDM4E 1230/4885MEN1 4428/4885KMT2A 3200/4885
US-20110059047-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, ZC3HAV1 KDM4E 353/4885MEN1 4563/4885KMT2A 3177/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KDM4E 1944/4885MEN1 1395/4885KMT2A 806/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KDM4E 1944/4885MEN1 1395/4885KMT2A 806/4885
US-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 KDM4E 457/4885MEN1 4287/4885KMT2A 2755/4885
US-20110129444-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS KDM4E 1230/4885MEN1 4428/4885KMT2A 3200/4885

“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.