SCHEMBL5216465

SCHEMBL5216465

COC(=O)c1ccccc1CN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.60
HCRTR2 O43614 1/20 0.60
CYP2A13 Q16696 4/20 0.55
ALDH1A1 P00352 3/20 0.50
CNR1 P21554 1/20 0.49
SIRT1 Q96EB6 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 2/20 0.49
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP13 P45452 1/20 0.48
ADAM17 P78536 1/20 0.48
ALOX15 P16050 2/20 0.47
CYP2C9 P11712 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 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
SCHEMBL28343653 0.87 KDM4E (0.60) HCRTR1HCRTR2ALDH1A1SIRT1SMN1; SMN2
SCHEMBL3346009 0.86 CYP2A13 (0.52) HCRTR1HCRTR2CYP2A13ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL6580775 0.85 KDM4E (0.59) ALDH1A1SIRT1SMN1; SMN2LMNAHSD17B10
SCHEMBL10210904 0.85 KDM4E (0.63) ALDH1A1SIRT1SMN1; SMN2LMNAHSD17B10
SCHEMBL6585398 0.84 HDAC3 (0.56) ALDH1A1SIRT1SMN1; SMN2LMNAMMP1
SCHEMBL14051401 0.84 CYP2A13 (0.50) HCRTR1HCRTR2CYP2A13ALDH1A1SMN1; SMN2
SCHEMBL4848385 0.84 CYP2A13 (0.59) HCRTR1HCRTR2CYP2A13ALDH1A1SMN1; SMN2
SCHEMBL28746194 0.83 ALDH1A1 (0.68) ALDH1A1MAPK1LMNAALOX15NPC1
SCHEMBL7526646 0.83 CYP2A13 (0.58) CYP2A13ALDH1A1CNR1SMN1; SMN2LMNA
SCHEMBL25145993 0.83 LMNA (0.54) ALDH1A1SIRT1LMNA

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
EP-1392219-A4 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2007-01-24 EP disclosed
US-7074813-B2 Substituted N′-(arylcarbonyl)-benzhydrazides, N′-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-07-11 US disclosed
US-20040186078-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-09-23 US disclosed
US-6716859-B2 ANTICANCER AGENTS CYTOVIA, INC. 2004-04-06 US disclosed
EP-1392219-A2 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP disclosed
US-20030013743-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-01-16 US disclosed
WO-2002089745-A2 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-14 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-20040186078-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP2, CASP1, BCL2 HCRTR1 1679/4885HCRTR2 2866/4885CYP2A13 2198/4885
US-20030013743-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP2, CASP1, BCL2 HCRTR1 1679/4885HCRTR2 2866/4885CYP2A13 2198/4885

“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.