SCHEMBL5215487

SCHEMBL5215487

NNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
TSHR P16473 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MLNR O43193 1/20 0.49
MMP1 P03956 1/20 0.49
MPO P05164 1/20 0.49
GLA P06280 1/20 0.49
ADORA3 P0DMS8 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
SCHEMBL8977114 0.86 MAPT (0.64) MAPTLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL11693598 0.85 MAPT (0.58) MAPTLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL5214063 0.85 MAPT (0.57) MAPTLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL5214818 0.83 MAPT (0.56) MAPTLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL23041342 0.82 MAPT (0.55) MAPTLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL28933885 0.81 MEN1 (0.59) MAPTLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL5217469 0.79 ALDH1A1 (0.50) MAPTLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL895626 0.77 ALDH1A1 (0.53) MAPTLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL2833356 0.77 ALDH1A1 (0.57) MAPTLMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL3650651 0.77 MEN1 (0.69) SMN1; SMN2ALDH1A1TDP1MEN1KMT2A

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 MAPT 4807/4885LMNA 809/4885SMN1; SMN2 3303/4885
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 MAPT 4807/4885LMNA 809/4885SMN1; SMN2 3303/4885

“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.