SCHEMBL4914396

SCHEMBL4914396

COc1ccc(C(=O)Cc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
MAPT P10636 2/20 0.58
TDP1 Q9NUW8 1/20 0.56
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.55
THRB P10828 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 1/20 0.53
NR4A2 P43354 1/20 0.52
IDO1 P14902 1/20 0.52
LMNA P02545 2/20 0.51
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KCNH2 Q12809 1/20 0.49
GSK3B P49841 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49

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
SCHEMBL2847244 0.86 MAPT (0.55) RAB9AMAPTTDP1L3MBTL1NR4A2
SCHEMBL27917764 0.82 KMT2A (0.56) RAB9AMAPTKMT2AL3MBTL1NR4A2
SCHEMBL11000136 0.80 ERCC1 (0.48) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL2119177 0.80 MGAM (0.47) MAPTKMT2ANR4A2LMNAGSK3B
SCHEMBL5318479 0.80 MAPT (0.57) RAB9AMAPTHTTKMT2AMEN1
SCHEMBL3099974 0.78 NPC1 (0.68) RAB9AMAPTHTTKMT2AMEN1
SCHEMBL3099659 0.78 NPC1 (0.68) RAB9AMAPTHTTKMT2AMEN1
SCHEMBL4970738 0.77 RAB9A (0.50) RAB9AMAPTHTTKMT2AMEN1
SCHEMBL836320 0.77 L3MBTL1 (0.62) RAB9AMAPTKMT2AMEN1ALDH1A1
SCHEMBL8636638 0.77 NPC1 (0.61) RAB9AMAPTHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021070-A1 PYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2008-01-24 US disclosed
EP-1805143-A1 PYRIDINE DERIVATIVES AND THE PREPARATION AND THE THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2007-07-11 EP disclosed
WO-2006042955-A1 PYRIDINE DERIVATIVES AND THE PREPARATION AND THE THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2006-04-27 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 (1 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-20080021070-A1 PYRIDINE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF CNR1, CNR2, GPR18 RAB9A 246/4885MAPT 4000/4885TDP1 4457/4885

“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.