SCHEMBL5248607

SCHEMBL5248607

O=[C]c1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 5/20 0.41
BACE1 P56817 1/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 1/20 0.41
RAB9A P51151 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL4369816 0.77 PTPN1 (0.41) PTPN1ALDH1A1BACE1LMNAHTT
SCHEMBL12679759 0.77 ADORA1 (0.55) ALDH1A1LMNAHTTATML3MBTL1
SCHEMBL22064851 0.73 CYP2A6 (0.50) PTPN1ALDH1A1BACE1LMNAHTT
SCHEMBL309669 0.73 PTPN1 (0.50) PTPN1ALDH1A1BACE1LMNAHTT
SCHEMBL7902628 0.71 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP1A2MAOA
Biphenyl SCHEMBL314415 0.71 ALDH1A1 (0.82) ALDH1A1LMNAHTTATMMAPT
SCHEMBL8928083 0.70 ALDH1A1 (0.50) PTPN1ALDH1A1BACE1LMNAHTT
SCHEMBL1644568 0.70 ALDH1A1 (0.39) ALDH1A1BACE1KMT2ASMN1; SMN2MEN1
SCHEMBL456551 0.69 ALDH1A1 (0.47) PTPN1ALDH1A1BACE1LMNAHTT
SCHEMBL22064850 0.69 ALDH1A1 (0.47) PTPN1ALDH1A1BACE1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470829-B2 Imidazolidine derivative and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-06-25 US disclosed
US-20110306615-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-12-15 US disclosed
CN-101720326-A Novel carbapenem derivatives KBP BIOSCIENCES CO LTD 2010-06-02 CN disclosed
EP-1790640-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-30 EP disclosed
US-6887890-B2 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-05-03 US disclosed
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP 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 (2 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-20110306615-A1 NOVEL IMIDAZOLIDINE DERIVATIVE AND USE THEREOF CBR1, NR0B1, CNKSR1 PTPN1 868/4885ALDH1A1 989/4885BACE1 4047/4885
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK PTPN1 493/4885ALDH1A1 2042/4885BACE1 3304/4885

“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.