SCHEMBL9893032

SCHEMBL9893032

CC(=O)Nc1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
POLB P06746 3/20 0.51
HRH4 Q9H3N8 2/20 0.51
KLF5 Q13887 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FFAR2 O15552 1/20 0.47
DYRK1A Q13627 1/20 0.47
FSCN1 Q16658 1/20 0.47
RAF1 P04049 1/20 0.45
LPAR2 Q9HBW0 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL11171719 0.85 NPC1 (0.55) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL16253006 0.84 RAB9A (0.48) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL9891793 0.84 FFAR2 (0.56) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL11706151 0.84 NPC1 (0.72) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL5345714 0.83 LMNA (0.65) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL130615 0.83 LMNA (0.65) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL9893073 0.82 LMNA (0.63) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL5355854 0.82 LMNA (0.63) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL2919354 0.82 LMNA (0.63) LMNANPC1RAB9AMEN1KMT2A
SCHEMBL16480441 0.81 LMNA (0.58) LMNANPC1RAB9AHRH4RAF1

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-8889670-B2 Heterocyclic compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
US-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 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 (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-20110312944-A1 Heterocyclic Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 LMNA 4475/4885NPC1 1779/4885RAB9A 2445/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 LMNA 4696/4885NPC1 1904/4885RAB9A 2299/4885

“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.