SCHEMBL5618019

SCHEMBL5618019

COc1cccc(C(=O)c2ccc(Cl)cc2N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ABL1 P00519 1/20 0.54
MAPT P10636 3/20 0.53
TP53 P04637 1/20 0.53
PARP1 P09874 1/20 0.53
CYP2C8 P10632 1/20 0.52
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
STS P08842 2/20 0.51
CDK5 Q00535 1/20 0.51
CDK5R1 Q15078 1/20 0.51
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PGR P06401 1/20 0.47

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
SCHEMBL2702939 0.90 RAB9A (0.56) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5617962 0.88 PARP1 (0.58) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5647972 0.84 MAPT (0.57) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL28015863 0.84 MAPT (0.73) RAB9ANPC1MEN1KMT2AABL1
SCHEMBL4267213 0.82 GAA (0.59) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5187637 0.81 ABL1 (0.43) RAB9ANPC1MEN1KMT2AABL1
SCHEMBL10632527 0.81 POLB (0.67) RAB9ANPC1MEN1KMT2AABL1
SCHEMBL27681455 0.81 PARP1 (0.57) RAB9ANPC1MAPTPARP1CYP2C8
SCHEMBL11381382 0.81 NPC1 (0.64) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8080356 0.80 AKR1C4 (0.49) ABL1MAPTPARP1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235674-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-26 US disclosed
US-7015328-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-03-21 US disclosed
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-04-28 US disclosed
EP-1392283-A4 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASE ACTIVATORS CYTOVIA INC (US) 2004-10-20 EP disclosed
EP-1392283-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS Cytovia, Inc. (US) 2004-03-03 EP disclosed
US-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-19 US disclosed
WO-2002092076-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS CYTOVIA, INC. (US) 2002-11-21 WO disclosed
US-6100254-A Inhibitors of protein tyrosine kinases BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2000-08-08 US disclosed
WO-1999019306-A2 2,3-BENZODIAZEPIN-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF PROTEIN TYROSINE KINASES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-04-22 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-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP1, CASP5 RAB9A 3504/4885NPC1 739/4885MEN1 2460/4885
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP5, CASP14 RAB9A 3334/4885NPC1 916/4885MEN1 2856/4885

“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.