SCHEMBL4384669

SCHEMBL4384669

CCc1ccc(NC(=O)NCc2nc(C(=O)O)cs2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.53
POLB P06746 2/20 0.50
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 5/20 0.45
MAPT P10636 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 3/20 0.45
TP53 P04637 2/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 5/20 0.45
ALOX12 P18054 1/20 0.45
NAMPT P43490 2/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL4391423 0.85 NPC1 (0.55) RAB9APOLBKMT2AMEN1NPC1
SCHEMBL4393911 0.84 NPC1 (0.54) RAB9APOLBKMT2AMEN1NPC1
SCHEMBL5669690 0.79 MAPT (0.65) RAB9APOLBKMT2AMEN1NPC1
SCHEMBL2174499 0.78 CNR1 (0.49) RAB9APOLBKMT2AMEN1NPC1
SCHEMBL2172958 0.77 CNR1 (0.54) RAB9APOLBKMT2AMEN1NPC1
SCHEMBL13634357 0.74 L3MBTL1 (0.54) POLBKMT2AMEN1MAPTALOX15
SCHEMBL13185536 0.73 POLB (0.70) RAB9APOLBKMT2AMEN1NPC1
SCHEMBL1244889 0.72 MMP1 (0.53) RAB9ANPC1MAPTALDH1A1L3MBTL1
SCHEMBL13162586 0.72 LIPG (0.45) RAB9APOLBNPC1MAPTSMN1; SMN2
SCHEMBL14076069 0.71 MMP1 (0.47) POLBSMN1; SMN2ALDH1A1L3MBTL1MMP1

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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
EP-1730128-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-12-13 EP disclosed
WO-2005097765-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-10-20 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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 RAB9A 2862/4885POLB 3321/4885KMT2A 973/4885

“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.